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

C19H23N3O2 — CID 119299595

IUPACN-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)C(N)Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-7-9-16(10-8-14)18(23)21-11-12-22-19(24)17(20)13-15-5-3-2-4-6-15/h2-10,17H,11-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyUGFWXEOIPBUFJK-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.41
Rot. Bonds7

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

N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide (PubChem CID 119299595) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
PubChem CID119299595
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)C(N)Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-7-9-16(10-8-14)18(23)21-11-12-22-19(24)17(20)13-15-5-3-2-4-6-15/h2-10,17H,11-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyUGFWXEOIPBUFJK-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
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-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119299589
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119279019
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
CID 154890074
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10388888
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119827831
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
2-benzamidoethyl (2S)-2-amino-3-phenylpropanoate
CID 70501076

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide (CID 119299595) is N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)C(N)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is UGFWXEOIPBUFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-7-9-16(10-8-14)18(23)21-11-12-22-19(24)17(20)13-15-5-3-2-4-6-15/h2-10,17H,11-13,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 119299595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).