4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide

C28H39N3O3 — CID 42703225

IUPAC4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CCC(=O)NCCN2CCOCC2)C(C)c2ccccc2)cc1
InChIInChI=1S/C28H39N3O3/c1-3-4-8-24-11-13-26(14-12-24)28(33)31(23(2)25-9-6-5-7-10-25)17-15-27(32)29-16-18-30-19-21-34-22-20-30/h5-7,9-14,23H,3-4,8,15-22H2,1-2H3,(H,29,32)
InChIKeyNUSYNENIPFRJGZ-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.07
Rot. Bonds12

About 4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide

4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide (PubChem CID 42703225) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is 4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide
PubChem CID42703225
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Name4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CCC(=O)NCCN2CCOCC2)C(C)c2ccccc2)cc1
InChIInChI=1S/C28H39N3O3/c1-3-4-8-24-11-13-26(14-12-24)28(33)31(23(2)25-9-6-5-7-10-25)17-15-27(32)29-16-18-30-19-21-34-22-20-30/h5-7,9-14,23H,3-4,8,15-22H2,1-2H3,(H,29,32)
InChIKeyNUSYNENIPFRJGZ-UHFFFAOYSA-N
XLogP4.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 42703232
3-[acetyl(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113120745
2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 38809706
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide
CID 133148925
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
1-(4-butylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 2192072
4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045869
N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide
CID 4168501

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide (CID 42703225) is 4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide is CCCCc1ccc(C(=O)N(CCC(=O)NCCN2CCOCC2)C(C)c2ccccc2)cc1.
What is the InChIKey of 4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide?
The InChIKey is NUSYNENIPFRJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-3-4-8-24-11-13-26(14-12-24)28(33)31(23(2)25-9-6-5-7-10-25)17-15-27(32)29-16-18-30-19-21-34-22-20-30/h5-7,9-14,23H,3-4,8,15-22H2,1-2H3,(H,29,32).
What are the key properties of 4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide?
4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide has a molecular weight of 465.64 g/mol, XLogP of 4.07, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 42703225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).