(2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide

C21H31N3O2 — CID 33166500

IUPAC(2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
SMILESC[C@H](NCC1(c2ccccc2)CCCC1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C21H31N3O2/c1-16(19(25)24-20(26)23-18-11-5-6-12-18)22-15-21(13-7-8-14-21)17-9-3-2-4-10-17/h2-4,9-10,16,18,22H,5-8,11-15H2,1H3,(H2,23,24,25,26)/t16-/m0/s1
InChIKeyDJFASNXXBJLHIK-INIZCTEOSA-N
MW357.50 g/mol
LogP3.24
Rot. Bonds6

About (2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide

(2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide (PubChem CID 33166500) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
PubChem CID33166500
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
SMILESC[C@H](NCC1(c2ccccc2)CCCC1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C21H31N3O2/c1-16(19(25)24-20(26)23-18-11-5-6-12-18)22-15-21(13-7-8-14-21)17-9-3-2-4-10-17/h2-4,9-10,16,18,22H,5-8,11-15H2,1H3,(H2,23,24,25,26)/t16-/m0/s1
InChIKeyDJFASNXXBJLHIK-INIZCTEOSA-N
XLogP3.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide
CID 95156564
N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
CID 50959923
(2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
CID 95125347
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
CID 55478369
(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide
CID 25329518
N-cyclohexyl-2-(2-phenylpropylamino)propanamide
CID 115569785
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide?
The IUPAC name of (2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide (CID 33166500) is (2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide.
What is the SMILES notation for (2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide?
The canonical SMILES for (2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide is C[C@H](NCC1(c2ccccc2)CCCC1)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide?
The InChIKey is DJFASNXXBJLHIK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(19(25)24-20(26)23-18-11-5-6-12-18)22-15-21(13-7-8-14-21)17-9-3-2-4-10-17/h2-4,9-10,16,18,22H,5-8,11-15H2,1H3,(H2,23,24,25,26)/t16-/m0/s1.
What are the key properties of (2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide?
(2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide has a molecular weight of 357.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide is sourced from PubChem (CID 33166500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).