N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide

C20H25N3O2 — CID 119745433

IUPACN-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(CNC(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C20H25N3O2/c1-14(2)10-20(25)23-18-5-3-4-16(11-18)13-22-19(24)12-15-6-8-17(21)9-7-15/h3-9,11,14H,10,12-13,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMWAJSPFRCJUROS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.11
Rot. Bonds7

About N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide

N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide (PubChem CID 119745433) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide
PubChem CID119745433
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(CNC(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C20H25N3O2/c1-14(2)10-20(25)23-18-5-3-4-16(11-18)13-22-19(24)12-15-6-8-17(21)9-7-15/h3-9,11,14H,10,12-13,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMWAJSPFRCJUROS-UHFFFAOYSA-N
XLogP3.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119301478
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
1-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301492
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 119743695
N-[3-[[(2-amino-2-phenylpropanoyl)amino]methyl]phenyl]-3-methylbutanamide
CID 120589998
3-methyl-N-[3-[[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111244021
4-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]-3-nitrobenzamide
CID 48505013
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 110918783
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924
N-[3-[[[N-[(3-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-methylbutanamide
CID 111176712
3-methyl-N-[3-[[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111003001

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide (CID 119745433) is N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cccc(CNC(=O)Cc2ccc(N)cc2)c1.
What is the InChIKey of N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide?
The InChIKey is MWAJSPFRCJUROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)10-20(25)23-18-5-3-4-16(11-18)13-22-19(24)12-15-6-8-17(21)9-7-15/h3-9,11,14H,10,12-13,21H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide?
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide has a molecular weight of 339.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 119745433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).