N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide

C19H27N3O2 — CID 94577269

IUPACN-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide
SMILESCN(C(=O)NCCC(=O)NC1CCCC1)[C@H]1CCc2ccccc21
InChIInChI=1S/C19H27N3O2/c1-22(17-11-10-14-6-2-5-9-16(14)17)19(24)20-13-12-18(23)21-15-7-3-4-8-15/h2,5-6,9,15,17H,3-4,7-8,10-13H2,1H3,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyARLFARNCPNAUBQ-KRWDZBQOSA-N
MW329.44 g/mol
LogP2.76
Rot. Bonds5

About N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide

N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide (PubChem CID 94577269) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide
PubChem CID94577269
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide
SMILESCN(C(=O)NCCC(=O)NC1CCCC1)[C@H]1CCc2ccccc21
InChIInChI=1S/C19H27N3O2/c1-22(17-11-10-14-6-2-5-9-16(14)17)19(24)20-13-12-18(23)21-15-7-3-4-8-15/h2,5-6,9,15,17H,3-4,7-8,10-13H2,1H3,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyARLFARNCPNAUBQ-KRWDZBQOSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
CID 47236430
methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate
CID 95171492
N-cyclopropyl-3-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 62626829
N-cyclopropyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 79386308
N-cyclopropyl-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8910380
3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea
CID 112832098
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
3-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea
CID 138992692
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide
CID 47175434
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-oxazole-4-carboxamide
CID 138997641
N-(cyclopentylcarbamoyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260380
N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 110983412

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide (CID 94577269) is N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide is CN(C(=O)NCCC(=O)NC1CCCC1)[C@H]1CCc2ccccc21.
What is the InChIKey of N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide?
The InChIKey is ARLFARNCPNAUBQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-22(17-11-10-14-6-2-5-9-16(14)17)19(24)20-13-12-18(23)21-15-7-3-4-8-15/h2,5-6,9,15,17H,3-4,7-8,10-13H2,1H3,(H,20,24)(H,21,23)/t17-/m0/s1.
What are the key properties of N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide?
N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide has a molecular weight of 329.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide is sourced from PubChem (CID 94577269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).