4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide

C23H31N3O2 — CID 54832017

IUPAC4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C23H31N3O2/c1-4-15-26(16-5-2)23(28)20-11-13-21(14-12-20)24-17-22(27)25-18(3)19-9-7-6-8-10-19/h6-14,18,24H,4-5,15-17H2,1-3H3,(H,25,27)
InChIKeyRNGMZKJFQFDTGK-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.24
Rot. Bonds10

About 4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide

4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54832017) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
PubChem CID54832017
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C23H31N3O2/c1-4-15-26(16-5-2)23(28)20-11-13-21(14-12-20)24-17-22(27)25-18(3)19-9-7-6-8-10-19/h6-14,18,24H,4-5,15-17H2,1-3H3,(H,25,27)
InChIKeyRNGMZKJFQFDTGK-UHFFFAOYSA-N
XLogP4.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54841841
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54842058
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832376
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
CID 54820323

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide (CID 54832017) is 4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NCC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is RNGMZKJFQFDTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-15-26(16-5-2)23(28)20-11-13-21(14-12-20)24-17-22(27)25-18(3)19-9-7-6-8-10-19/h6-14,18,24H,4-5,15-17H2,1-3H3,(H,25,27).
What are the key properties of 4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide?
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54832017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).