N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide

C19H23N3O2 — CID 119950377

IUPACN-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-7-9-16(10-8-14)19(24)22-12-11-21-18(23)13-17(20)15-5-3-2-4-6-15/h2-10,17H,11-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyQTYORLUVQQRRTA-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.93
Rot. Bonds7

About N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide

N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide (PubChem CID 119950377) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
PubChem CID119950377
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-7-9-16(10-8-14)19(24)22-12-11-21-18(23)13-17(20)15-5-3-2-4-6-15/h2-10,17H,11-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyQTYORLUVQQRRTA-UHFFFAOYSA-N
XLogP1.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide 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

3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide
CID 119950794
4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
CID 119950298
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
3-amino-N-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 120560978
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119299589

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide (CID 119950377) is N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)CC(N)c2ccccc2)cc1.
What is the InChIKey of N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is QTYORLUVQQRRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-7-9-16(10-8-14)19(24)22-12-11-21-18(23)13-17(20)15-5-3-2-4-6-15/h2-10,17H,11-13,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 119950377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).