N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide

C19H23N3O2 — CID 54835521

IUPACN-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-3-18(23)22-17-11-9-16(10-12-17)20-13-19(24)21-14(2)15-7-5-4-6-8-15/h4-12,14,20H,3,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGWNGYTZJDYNRMW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.32
Rot. Bonds7

About N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide

N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide (PubChem CID 54835521) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
PubChem CID54835521
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-3-18(23)22-17-11-9-16(10-12-17)20-13-19(24)21-14(2)15-7-5-4-6-8-15/h4-12,14,20H,3,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGWNGYTZJDYNRMW-UHFFFAOYSA-N
XLogP3.32
TPSA70.23 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 ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 46468381
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
CID 54820323
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832017
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide (CID 54835521) is N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NCC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide?
The InChIKey is GWNGYTZJDYNRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-18(23)22-17-11-9-16(10-12-17)20-13-19(24)21-14(2)15-7-5-4-6-8-15/h4-12,14,20H,3,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide?
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).