4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide

C19H23N3O2 — CID 119716862

IUPAC4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C19H23N3O2/c1-3-13(2)18(23)22-17-6-4-5-14(11-17)12-21-19(24)15-7-9-16(20)10-8-15/h4-11,13H,3,12,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCFTZVNUBEKARGK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.18
Rot. Bonds6

About 4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide

4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide (PubChem CID 119716862) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
PubChem CID119716862
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C19H23N3O2/c1-3-13(2)18(23)22-17-6-4-5-14(11-17)12-21-19(24)15-7-9-16(20)10-8-15/h4-11,13H,3,12,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCFTZVNUBEKARGK-UHFFFAOYSA-N
XLogP3.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.18
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

N-[[3-(2-methylbutanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78882027
3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55749646
4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55869026
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119181695
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
3-chloro-N-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55868514
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
2-methyl-N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]butanamide
CID 111125482
1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide
CID 55882334

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide (CID 119716862) is 4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide is CCC(C)C(=O)Nc1cccc(CNC(=O)c2ccc(N)cc2)c1.
What is the InChIKey of 4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
The InChIKey is CFTZVNUBEKARGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-13(2)18(23)22-17-6-4-5-14(11-17)12-21-19(24)15-7-9-16(20)10-8-15/h4-11,13H,3,12,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 119716862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).