2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide

C17H27N3O2 — CID 177180405

IUPAC2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide
SMILESCCCc1ccc(NC(=O)C(C)NC(=O)C(N)C(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-5-6-13-7-9-14(10-8-13)20-16(21)12(4)19-17(22)15(18)11(2)3/h7-12,15H,5-6,18H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyVKEYMDOQVDCTOR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.07
Rot. Bonds7

About 2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide

2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide (PubChem CID 177180405) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide
PubChem CID177180405
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide
SMILESCCCc1ccc(NC(=O)C(C)NC(=O)C(N)C(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-5-6-13-7-9-14(10-8-13)20-16(21)12(4)19-17(22)15(18)11(2)3/h7-12,15H,5-6,18H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyVKEYMDOQVDCTOR-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide 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

2-amino-3-methyl-N-(4-propylphenyl)butanamide
CID 43378687
(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
CID 79011565
[4-[[(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl acetate
CID 154959057
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
(2S)-2-amino-N-[(2S)-1-[4-[1-(2-amino-2-oxoethoxy)ethoxymethyl]anilino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 155375955
3-methyl-2-[(4-propylphenyl)carbamoyl]butanoic acid
CID 115186130
2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide
CID 42907437
(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methyl-N-[(2S)-1-oxo-1-(4-propylanilino)propan-2-yl]butanamide
CID 170261779
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide (CID 177180405) is 2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide is CCCc1ccc(NC(=O)C(C)NC(=O)C(N)C(C)C)cc1.
What is the InChIKey of 2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide?
The InChIKey is VKEYMDOQVDCTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-6-13-7-9-14(10-8-13)20-16(21)12(4)19-17(22)15(18)11(2)3/h7-12,15H,5-6,18H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide?
2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide has a molecular weight of 305.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide is sourced from PubChem (CID 177180405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).