tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate

C21H32N2O3 — CID 67593095

IUPACtert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate
SMILESC=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H32N2O3/c1-13(18(20(2,3)4)23-19(25)26-21(5,6)7)22-17-15-11-9-8-10-14(15)12-16(17)24/h8-11,16-18,22,24H,1,12H2,2-7H3,(H,23,25)/t16-,17+,18-/m1/s1
InChIKeySEVIZQHBVWSNFI-FGTMMUONSA-N
MW360.50 g/mol
LogP3.69
Rot. Bonds4

About tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate

tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate (PubChem CID 67593095) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate
PubChem CID67593095
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Nametert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate
SMILESC=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H32N2O3/c1-13(18(20(2,3)4)23-19(25)26-21(5,6)7)22-17-15-11-9-8-10-14(15)12-16(17)24/h8-11,16-18,22,24H,1,12H2,2-7H3,(H,23,25)/t16-,17+,18-/m1/s1
InChIKeySEVIZQHBVWSNFI-FGTMMUONSA-N
XLogP3.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 69464316
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
3-benzyl-4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 66922461
tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 164603518
tert-butyl N-[(2S)-1-[[(2S,3R,4R)-3-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 5327580
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 18646598
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 61367021
tert-butyl N-[(2R)-5-bromo-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 176982067

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate (CID 67593095) is tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate is C=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate?
The InChIKey is SEVIZQHBVWSNFI-FGTMMUONSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-13(18(20(2,3)4)23-19(25)26-21(5,6)7)22-17-15-11-9-8-10-14(15)12-16(17)24/h8-11,16-18,22,24H,1,12H2,2-7H3,(H,23,25)/t16-,17+,18-/m1/s1.
What are the key properties of tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate?
tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate has a molecular weight of 360.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate is sourced from PubChem (CID 67593095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).