N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane

C33H44N4O4 — CID 168919427

IUPACN-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane
SMILESCC.COCC1Cc2ccc(C(=O)NC3CC(C)(C)Oc4ccc(/C=C\CCC5CC(=O)NC(N)=N5)cc43)cc2C1
InChIInChI=1S/C31H38N4O4.C2H6/c1-31(2)17-26(34-29(37)22-10-9-21-12-20(18-38-3)13-23(21)15-22)25-14-19(8-11-27(25)39-31)6-4-5-7-24-16-28(36)35-30(32)33-24;1-2/h4,6,8-11,14-15,20,24,26H,5,7,12-13,16-18H2,1-3H3,(H,34,37)(H3,32,33,35,36);1-2H3/b6-4-;
InChIKeyUCZORPAMLLMRCX-YHSAGPEESA-N
MW560.74 g/mol
LogP5.10
Rot. Bonds8

About N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane

N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane (PubChem CID 168919427) has the molecular formula C33H44N4O4 and a molecular weight of 560.74 g/mol. Its IUPAC name is N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane.

Molecular Properties

Compound NameN-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane
PubChem CID168919427
Molecular FormulaC33H44N4O4
Molecular Weight560.74 g/mol
Exact Mass560.34
IUPAC NameN-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane
SMILESCC.COCC1Cc2ccc(C(=O)NC3CC(C)(C)Oc4ccc(/C=C\CCC5CC(=O)NC(N)=N5)cc43)cc2C1
InChIInChI=1S/C31H38N4O4.C2H6/c1-31(2)17-26(34-29(37)22-10-9-21-12-20(18-38-3)13-23(21)15-22)25-14-19(8-11-27(25)39-31)6-4-5-7-24-16-28(36)35-30(32)33-24;1-2/h4,6,8-11,14-15,20,24,26H,5,7,12-13,16-18H2,1-3H3,(H,34,37)(H3,32,33,35,36);1-2H3/b6-4-;
InChIKeyUCZORPAMLLMRCX-YHSAGPEESA-N
XLogP5.10
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane with MolForge

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Related Compounds

N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 168919235
N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol
CID 168919178
N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide
CID 168918979
N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-1,1-dimethyl-3,4-dihydroisochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 168919381
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100614396
3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
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
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-diethoxybenzamide
CID 100535222
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 133231370
5-ethyl-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125167898

Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane?
The IUPAC name of N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane (CID 168919427) is N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane.
What is the SMILES notation for N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane?
The canonical SMILES for N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane is CC.COCC1Cc2ccc(C(=O)NC3CC(C)(C)Oc4ccc(/C=C\CCC5CC(=O)NC(N)=N5)cc43)cc2C1.
What is the InChIKey of N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane?
The InChIKey is UCZORPAMLLMRCX-YHSAGPEESA-N. The full InChI is InChI=1S/C31H38N4O4.C2H6/c1-31(2)17-26(34-29(37)22-10-9-21-12-20(18-38-3)13-23(21)15-22)25-14-19(8-11-27(25)39-31)6-4-5-7-24-16-28(36)35-30(32)33-24;1-2/h4,6,8-11,14-15,20,24,26H,5,7,12-13,16-18H2,1-3H3,(H,34,37)(H3,32,33,35,36);1-2H3/b6-4-;.
What are the key properties of N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane?
N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane has a molecular weight of 560.74 g/mol, XLogP of 5.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane is sourced from PubChem (CID 168919427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).