3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide

C19H23N3O2 — CID 119949748

IUPAC3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)19(24)12-14-8-10-16(11-9-14)21-18(23)13-17(20)15-6-4-3-5-7-15/h3-11,17H,12-13,20H2,1-2H3,(H,21,23)
InChIKeyMPUMXEZFGJAYRM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.35
Rot. Bonds6

About 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide

3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide (PubChem CID 119949748) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
PubChem CID119949748
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)19(24)12-14-8-10-16(11-9-14)21-18(23)13-17(20)15-6-4-3-5-7-15/h3-11,17H,12-13,20H2,1-2H3,(H,21,23)
InChIKeyMPUMXEZFGJAYRM-UHFFFAOYSA-N
XLogP2.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119719016
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
CID 43709065
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
CID 119950298
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide (CID 119949748) is 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide is CN(C)C(=O)Cc1ccc(NC(=O)CC(N)c2ccccc2)cc1.
What is the InChIKey of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide?
The InChIKey is MPUMXEZFGJAYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)19(24)12-14-8-10-16(11-9-14)21-18(23)13-17(20)15-6-4-3-5-7-15/h3-11,17H,12-13,20H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide?
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119949748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).