(2R)-2-acetamido-N-(4-butylphenyl)pentanediamide

C17H25N3O3 — CID 95156797

IUPAC(2R)-2-acetamido-N-(4-butylphenyl)pentanediamide
SMILESCCCCc1ccc(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)cc1
InChIInChI=1S/C17H25N3O3/c1-3-4-5-13-6-8-14(9-7-13)20-17(23)15(19-12(2)21)10-11-16(18)22/h6-9,15H,3-5,10-11H2,1-2H3,(H2,18,22)(H,19,21)(H,20,23)/t15-/m1/s1
InChIKeyTWYGRXOBOAKBNO-OAHLLOKOSA-N
MW319.41 g/mol
LogP1.74
Rot. Bonds9

About (2R)-2-acetamido-N-(4-butylphenyl)pentanediamide

(2R)-2-acetamido-N-(4-butylphenyl)pentanediamide (PubChem CID 95156797) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(4-butylphenyl)pentanediamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(4-butylphenyl)pentanediamide
PubChem CID95156797
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(2R)-2-acetamido-N-(4-butylphenyl)pentanediamide
SMILESCCCCc1ccc(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)cc1
InChIInChI=1S/C17H25N3O3/c1-3-4-5-13-6-8-14(9-7-13)20-17(23)15(19-12(2)21)10-11-16(18)22/h6-9,15H,3-5,10-11H2,1-2H3,(H2,18,22)(H,19,21)(H,20,23)/t15-/m1/s1
InChIKeyTWYGRXOBOAKBNO-OAHLLOKOSA-N
XLogP1.74
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-acetamido-N-(4-butylphenyl)pentanediamide 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

(2S)-2-acetamido-N-(4-butylphenyl)-4-methylsulfonylbutanamide
CID 7100791
(2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide
CID 95383089
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 43006853
2-bromo-N-(4-butylphenyl)butanamide
CID 63463837
methyl 2-acetamido-3-(4-butylanilino)propanoate
CID 103237589
(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
CID 79011565
3-amino-2-methyl-N-(4-pentylphenyl)propanamide
CID 62670377
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide
CID 146383034

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(4-butylphenyl)pentanediamide?
The IUPAC name of (2R)-2-acetamido-N-(4-butylphenyl)pentanediamide (CID 95156797) is (2R)-2-acetamido-N-(4-butylphenyl)pentanediamide.
What is the SMILES notation for (2R)-2-acetamido-N-(4-butylphenyl)pentanediamide?
The canonical SMILES for (2R)-2-acetamido-N-(4-butylphenyl)pentanediamide is CCCCc1ccc(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)cc1.
What is the InChIKey of (2R)-2-acetamido-N-(4-butylphenyl)pentanediamide?
The InChIKey is TWYGRXOBOAKBNO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-4-5-13-6-8-14(9-7-13)20-17(23)15(19-12(2)21)10-11-16(18)22/h6-9,15H,3-5,10-11H2,1-2H3,(H2,18,22)(H,19,21)(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(4-butylphenyl)pentanediamide?
(2R)-2-acetamido-N-(4-butylphenyl)pentanediamide has a molecular weight of 319.41 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(4-butylphenyl)pentanediamide is sourced from PubChem (CID 95156797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).