4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride

C22H30ClN3O2 — CID 119282808

IUPAC4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-3-14-25(15-4-2)22(27)18-10-12-19(13-11-18)24-21(26)20(23)16-17-8-6-5-7-9-17;/h5-13,20H,3-4,14-16,23H2,1-2H3,(H,24,26);1H/t20-;/m0./s1
InChIKeyACSVNYXLIDIZLW-BDQAORGHSA-N
MW403.95 g/mol
LogP3.88
Rot. Bonds9

About 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride

4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride (PubChem CID 119282808) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride
PubChem CID119282808
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-3-14-25(15-4-2)22(27)18-10-12-19(13-11-18)24-21(26)20(23)16-17-8-6-5-7-9-17;/h5-13,20H,3-4,14-16,23H2,1-2H3,(H,24,26);1H/t20-;/m0./s1
InChIKeyACSVNYXLIDIZLW-BDQAORGHSA-N
XLogP3.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119827831
ethane;ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoate
CID 145446038
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
CID 119268408
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-3-methylbutanamide;hydrochloride
CID 119278732
N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886301

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride?
The IUPAC name of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride (CID 119282808) is 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride?
The canonical SMILES for 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride is CCCN(CCC)C(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl.
What is the InChIKey of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride?
The InChIKey is ACSVNYXLIDIZLW-BDQAORGHSA-N. The full InChI is InChI=1S/C22H29N3O2.ClH/c1-3-14-25(15-4-2)22(27)18-10-12-19(13-11-18)24-21(26)20(23)16-17-8-6-5-7-9-17;/h5-13,20H,3-4,14-16,23H2,1-2H3,(H,24,26);1H/t20-;/m0./s1.
What are the key properties of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride?
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride is sourced from PubChem (CID 119282808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).