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

C22H30N4O2 — CID 119827831

IUPAC4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C(N)Cc2ccccc2)cc1
InChIInChI=1S/C22H30N4O2/c1-3-26(4-2)15-14-24-21(27)18-10-12-19(13-11-18)25-22(28)20(23)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16,23H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYKODCRBMIAKPQG-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.27
Rot. Bonds10

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

4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 119827831) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
PubChem CID119827831
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C(N)Cc2ccccc2)cc1
InChIInChI=1S/C22H30N4O2/c1-3-26(4-2)15-14-24-21(27)18-10-12-19(13-11-18)25-22(28)20(23)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16,23H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYKODCRBMIAKPQG-UHFFFAOYSA-N
XLogP2.27
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827857
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride
CID 119282808
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865081
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
CID 24696027
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
CID 119865080
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
ethane;ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoate
CID 145446038
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 120669281

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide (CID 119827831) is 4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)C(N)Cc2ccccc2)cc1.
What is the InChIKey of 4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is YKODCRBMIAKPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-26(4-2)15-14-24-21(27)18-10-12-19(13-11-18)25-22(28)20(23)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16,23H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide?
4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 382.51 g/mol, XLogP of 2.27, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 119827831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).