(3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

C28H38N4O3 — CID 163222352

IUPAC(3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESC/C=C\C1=C(C)OC(C)(C)C[C@@H]1NC(=O)c1ccc2c(c1)[C@H](N1CC(N)=NC(C)(C)CC1=O)CC2
InChIInChI=1S/C28H38N4O3/c1-7-8-20-17(2)35-28(5,6)14-22(20)30-26(34)19-10-9-18-11-12-23(21(18)13-19)32-16-24(29)31-27(3,4)15-25(32)33/h7-10,13,22-23H,11-12,14-16H2,1-6H3,(H2,29,31)(H,30,34)/b8-7-/t22-,23+/m0/s1
InChIKeyJUFNDFKUFIDDJA-AHSWYQDFSA-N
MW478.64 g/mol
LogP4.19
Rot. Bonds4

About (3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

(3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 163222352) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is (3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID163222352
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Name(3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESC/C=C\C1=C(C)OC(C)(C)C[C@@H]1NC(=O)c1ccc2c(c1)[C@H](N1CC(N)=NC(C)(C)CC1=O)CC2
InChIInChI=1S/C28H38N4O3/c1-7-8-20-17(2)35-28(5,6)14-22(20)30-26(34)19-10-9-18-11-12-23(21(18)13-19)32-16-24(29)31-27(3,4)15-25(32)33/h7-10,13,22-23H,11-12,14-16H2,1-6H3,(H2,29,31)(H,30,34)/b8-7-/t22-,23+/m0/s1
InChIKeyJUFNDFKUFIDDJA-AHSWYQDFSA-N
XLogP4.19
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide with MolForge

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Related Compounds

4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide
CID 163222603
3-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 166705737
(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[6-ethynyl-3-hydroxy-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]-4H-pyran-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 170379563
3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 166705626
(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
CID 167558348
3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide
CID 97241328
3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 67546522
2-amino-3-[(1R)-6-[4-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]butanoyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]-6,6-dimethyl-5H-pyrimidin-4-one
CID 163222420
3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 166705756
(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3,8-dimethyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 167660333
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 99589244
tert-butyl N-[(4R)-4-but-3-enyl-1-[(4R)-6-[[(4S)-6-ethenyl-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]-4-ethyl-6-oxo-5H-pyrimidin-2-yl]carbamate
CID 168919496

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 163222352) is (3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is C/C=C\C1=C(C)OC(C)(C)C[C@@H]1NC(=O)c1ccc2c(c1)[C@H](N1CC(N)=NC(C)(C)CC1=O)CC2.
What is the InChIKey of (3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is JUFNDFKUFIDDJA-AHSWYQDFSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-7-8-20-17(2)35-28(5,6)14-22(20)30-26(34)19-10-9-18-11-12-23(21(18)13-19)32-16-24(29)31-27(3,4)15-25(32)33/h7-10,13,22-23H,11-12,14-16H2,1-6H3,(H2,29,31)(H,30,34)/b8-7-/t22-,23+/m0/s1.
What are the key properties of (3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 163222352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).