N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide

C21H29N3O2 — CID 167951254

IUPACN-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide
SMILESCCN1CCC1C(=O)N[C@@H]1CC[C@H](NC(=O)c2cccc3c2CCC3)C1
InChIInChI=1S/C21H29N3O2/c1-2-24-12-11-19(24)21(26)23-16-10-9-15(13-16)22-20(25)18-8-4-6-14-5-3-7-17(14)18/h4,6,8,15-16,19H,2-3,5,7,9-13H2,1H3,(H,22,25)(H,23,26)/t15-,16+,19?/m0/s1
InChIKeyBETXNZXJLSZACD-GWFKTICUSA-N
MW355.48 g/mol
LogP2.04
Rot. Bonds5

About N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide

N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide (PubChem CID 167951254) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide
PubChem CID167951254
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide
SMILESCCN1CCC1C(=O)N[C@@H]1CC[C@H](NC(=O)c2cccc3c2CCC3)C1
InChIInChI=1S/C21H29N3O2/c1-2-24-12-11-19(24)21(26)23-16-10-9-15(13-16)22-20(25)18-8-4-6-14-5-3-7-17(14)18/h4,6,8,15-16,19H,2-3,5,7,9-13H2,1H3,(H,22,25)(H,23,26)/t15-,16+,19?/m0/s1
InChIKeyBETXNZXJLSZACD-GWFKTICUSA-N
XLogP2.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide with MolForge

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Related Compounds

N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 167812345
(2S)-N-cyclopropyl-1-ethylpyrrolidine-2-carboxamide
CID 89087707
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3-dihydro-1H-indene-4-carboxamide
CID 127457813
N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-2,3-dihydro-1H-indene-4-carboxamide
CID 129336990
(2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 167953557
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
CID 78857677
N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126798197
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 14994244

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide?
The IUPAC name of N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide (CID 167951254) is N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide is CCN1CCC1C(=O)N[C@@H]1CC[C@H](NC(=O)c2cccc3c2CCC3)C1.
What is the InChIKey of N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide?
The InChIKey is BETXNZXJLSZACD-GWFKTICUSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-24-12-11-19(24)21(26)23-16-10-9-15(13-16)22-20(25)18-8-4-6-14-5-3-7-17(14)18/h4,6,8,15-16,19H,2-3,5,7,9-13H2,1H3,(H,22,25)(H,23,26)/t15-,16+,19?/m0/s1.
What are the key properties of N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide?
N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(2,3-dihydro-1H-indene-4-carbonylamino)cyclopentyl]-1-ethylazetidine-2-carboxamide is sourced from PubChem (CID 167951254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).