3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide

C15H23N3O2 — CID 61140780

IUPAC3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC(=O)Cc1ccccc1N
InChIInChI=1S/C15H23N3O2/c1-3-11(2)18-14(19)8-9-17-15(20)10-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBIEOAMCERNBQFJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.23
Rot. Bonds7

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

3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide (PubChem CID 61140780) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide
PubChem CID61140780
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC(=O)Cc1ccccc1N
InChIInChI=1S/C15H23N3O2/c1-3-11(2)18-14(19)8-9-17-15(20)10-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBIEOAMCERNBQFJ-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737569
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 61140590
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
CID 61150251
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348
2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid
CID 115923717
2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide
CID 43574376
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226
2-(2-aminophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103833107
2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033035

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide (CID 61140780) is 3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNC(=O)Cc1ccccc1N.
What is the InChIKey of 3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide?
The InChIKey is BIEOAMCERNBQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-11(2)18-14(19)8-9-17-15(20)10-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide?
3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 61140780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).