(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide

C16H23N3O3 — CID 25345040

IUPAC(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(15(20)19-16(21)17-2)18-12-7-9-14(10-8-12)22-13-5-3-4-6-13/h7-11,13,18H,3-6H2,1-2H3,(H2,17,19,20,21)/t11-/m0/s1
InChIKeyJHPCMFSIMCIFSH-NSHDSACASA-N
MW305.38 g/mol
LogP2.26
Rot. Bonds5

About (2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide

(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 25345040) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide
PubChem CID25345040
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(15(20)19-16(21)17-2)18-12-7-9-14(10-8-12)22-13-5-3-4-6-13/h7-11,13,18H,3-6H2,1-2H3,(H2,17,19,20,21)/t11-/m0/s1
InChIKeyJHPCMFSIMCIFSH-NSHDSACASA-N
XLogP2.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclopentyloxyanilino)-N-phenylpropanamide
CID 42950148
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
4-cyclohexyloxy-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 75424608
2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 51178190
N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide
CID 55572382
(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide
CID 31268630
2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 55572273
4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline
CID 115917770
4-cycloheptyloxy-N-methylaniline
CID 82930112
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
cyclohexyl 2-(4-methoxyanilino)propanoate
CID 175094894
(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide
CID 61178379

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide (CID 25345040) is (2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of (2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is JHPCMFSIMCIFSH-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(15(20)19-16(21)17-2)18-12-7-9-14(10-8-12)22-13-5-3-4-6-13/h7-11,13,18H,3-6H2,1-2H3,(H2,17,19,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide?
(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 305.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 25345040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).