3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide

C19H23N3O2 — CID 120588231

IUPAC3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-3-12-21-17(23)14-8-7-11-16(13-14)22-18(24)19(2,20)15-9-5-4-6-10-15/h4-11,13H,3,12,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLWERSOQYYWSQMT-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.64
Rot. Bonds6

About 3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide

3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide (PubChem CID 120588231) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide
PubChem CID120588231
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-3-12-21-17(23)14-8-7-11-16(13-14)22-18(24)19(2,20)15-9-5-4-6-10-15/h4-11,13H,3,12,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLWERSOQYYWSQMT-UHFFFAOYSA-N
XLogP2.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide
CID 120588630
3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide
CID 120587025
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 120588629
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119847657
2-amino-2-phenyl-N-[3-(propylsulfonylamino)phenyl]propanamide;hydrochloride
CID 120592815
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
CID 111536692
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide (CID 120588231) is 3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)C(C)(N)c2ccccc2)c1.
What is the InChIKey of 3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide?
The InChIKey is LWERSOQYYWSQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-12-21-17(23)14-8-7-11-16(13-14)22-18(24)19(2,20)15-9-5-4-6-10-15/h4-11,13H,3,12,20H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide?
3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide is sourced from PubChem (CID 120588231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).