N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide

C19H23N3O2 — CID 54815494

IUPACN-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide
SMILESCCCCNCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-2-3-12-20-14-18(23)21-16-10-7-11-17(13-16)22-19(24)15-8-5-4-6-9-15/h4-11,13,20H,2-3,12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyOXZYMNORTNOVMF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.27
Rot. Bonds8

About N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide

N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide (PubChem CID 54815494) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide
PubChem CID54815494
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide
SMILESCCCCNCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-2-3-12-20-14-18(23)21-16-10-7-11-17(13-16)22-19(24)15-8-5-4-6-9-15/h4-11,13,20H,2-3,12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyOXZYMNORTNOVMF-UHFFFAOYSA-N
XLogP3.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
CID 54814616
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide
CID 54829274
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54814790
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-[3-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]benzamide
CID 54829298
N-[3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839241

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide (CID 54815494) is N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide is CCCCNCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide?
The InChIKey is OXZYMNORTNOVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-3-12-20-14-18(23)21-16-10-7-11-17(13-16)22-19(24)15-8-5-4-6-9-15/h4-11,13,20H,2-3,12,14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54815494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).