4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide

C14H21N3O2 — CID 81087317

IUPAC4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CC(C)CN)c1
InChIInChI=1S/C14H21N3O2/c1-3-13(18)16-11-5-4-6-12(8-11)17-14(19)7-10(2)9-15/h4-6,8,10H,3,7,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXCGKKKGTHKOTEC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.96
Rot. Bonds6

About 4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide

4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide (PubChem CID 81087317) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
PubChem CID81087317
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CC(C)CN)c1
InChIInChI=1S/C14H21N3O2/c1-3-13(18)16-11-5-4-6-12(8-11)17-14(19)7-10(2)9-15/h4-6,8,10H,3,7,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXCGKKKGTHKOTEC-UHFFFAOYSA-N
XLogP1.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-[(4-amino-3-methylbutanoyl)amino]benzoic acid
CID 81087394
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide
CID 81075273
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894
2-[3-[(4-amino-3-methylbutanoyl)amino]phenyl]acetic acid
CID 81080665
4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
CID 81075773
4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 81075304
4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide (CID 81087317) is 4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide is CCC(=O)Nc1cccc(NC(=O)CC(C)CN)c1.
What is the InChIKey of 4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide?
The InChIKey is XCGKKKGTHKOTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-13(18)16-11-5-4-6-12(8-11)17-14(19)7-10(2)9-15/h4-6,8,10H,3,7,9,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide?
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide has a molecular weight of 263.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 81087317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).