3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide

C16H25N3O2 — CID 119498760

IUPAC3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCC(C)N)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-11-4-6-14(7-5-11)15(19-13(3)20)10-16(21)18-9-8-12(2)17/h4-7,12,15H,8-10,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCIXYDNJIRNLAOQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.42
Rot. Bonds7

About 3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide

3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide (PubChem CID 119498760) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
PubChem CID119498760
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCC(C)N)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-11-4-6-14(7-5-11)15(19-13(3)20)10-16(21)18-9-8-12(2)17/h4-7,12,15H,8-10,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCIXYDNJIRNLAOQ-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 46564601
3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide
CID 51313145
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 33275005
3-acetamido-3-(4-methylphenyl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 46520907
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
(3R)-3-acetamido-N-[(1R)-1-cyclopropylethyl]-3-(4-methylphenyl)propanamide
CID 30796495
3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide
CID 119526217
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide (CID 119498760) is 3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)NCCC(C)N)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide?
The InChIKey is CIXYDNJIRNLAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-4-6-14(7-5-11)15(19-13(3)20)10-16(21)18-9-8-12(2)17/h4-7,12,15H,8-10,17H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide?
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 119498760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).