3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide

C15H23N3O2 — CID 61022348

IUPAC3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC(=O)CNc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-12(2)18-14(19)9-10-16-15(20)11-17-13-7-5-4-6-8-13/h4-8,12,17H,3,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeySVPJDFSXADWSSH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.52
Rot. Bonds8

About 3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide

3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide (PubChem CID 61022348) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
PubChem CID61022348
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC(=O)CNc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-12(2)18-14(19)9-10-16-15(20)11-17-13-7-5-4-6-8-13/h4-8,12,17H,3,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeySVPJDFSXADWSSH-UHFFFAOYSA-N
XLogP1.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
methyl 3-[(2-anilinoacetyl)amino]propanoate
CID 60671204
1-(3-anilinopropyl)-3-[(2R)-butan-2-yl]urea
CID 95147782
3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 61140780
2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119874299
3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide
CID 119819005
2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115740490
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818
2-anilino-N-(4-hydroxypentan-2-yl)acetamide
CID 113376266
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172

Frequently Asked Questions

What is the IUPAC name of 3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide (CID 61022348) is 3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNC(=O)CNc1ccccc1.
What is the InChIKey of 3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide?
The InChIKey is SVPJDFSXADWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12(2)18-14(19)9-10-16-15(20)11-17-13-7-5-4-6-8-13/h4-8,12,17H,3,9-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide?
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 61022348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).