3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide

C24H31BrN4O3 — CID 42703232

IUPAC3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(c1ccccc1)N(CCC(=O)NCCN1CCOCC1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C24H31BrN4O3/c1-19(20-5-3-2-4-6-20)29(24(31)27-22-9-7-21(25)8-10-22)13-11-23(30)26-12-14-28-15-17-32-18-16-28/h2-10,19H,11-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyYHICWSRYSILMII-UHFFFAOYSA-N
MW503.44 g/mol
LogP3.88
Rot. Bonds9

About 3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide

3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 42703232) has the molecular formula C24H31BrN4O3 and a molecular weight of 503.44 g/mol. Its IUPAC name is 3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID42703232
Molecular FormulaC24H31BrN4O3
Molecular Weight503.44 g/mol
Exact Mass502.16
IUPAC Name3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(c1ccccc1)N(CCC(=O)NCCN1CCOCC1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C24H31BrN4O3/c1-19(20-5-3-2-4-6-20)29(24(31)27-22-9-7-21(25)8-10-22)13-11-23(30)26-12-14-28-15-17-32-18-16-28/h2-10,19H,11-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyYHICWSRYSILMII-UHFFFAOYSA-N
XLogP3.88
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide
CID 42703225
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
3-[acetyl(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113120745
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea
CID 16735041
3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140730
3-methyl-N-[(1R)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140732
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide (CID 42703232) is 3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide is CC(c1ccccc1)N(CCC(=O)NCCN1CCOCC1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is YHICWSRYSILMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN4O3/c1-19(20-5-3-2-4-6-20)29(24(31)27-22-9-7-21(25)8-10-22)13-11-23(30)26-12-14-28-15-17-32-18-16-28/h2-10,19H,11-18H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 503.44 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 42703232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).