3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide

C24H32N2O3 — CID 110418357

IUPAC3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)NCC(Cc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C24H32N2O3/c1-19(21-8-10-23(28-2)11-9-21)16-24(27)25-18-22(26-12-14-29-15-13-26)17-20-6-4-3-5-7-20/h3-11,19,22H,12-18H2,1-2H3,(H,25,27)
InChIKeyNTYUFBTZNPRXHM-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.25
Rot. Bonds9

About 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide

3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide (PubChem CID 110418357) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide
PubChem CID110418357
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)NCC(Cc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C24H32N2O3/c1-19(21-8-10-23(28-2)11-9-21)16-24(27)25-18-22(26-12-14-29-15-13-26)17-20-6-4-3-5-7-20/h3-11,19,22H,12-18H2,1-2H3,(H,25,27)
InChIKeyNTYUFBTZNPRXHM-UHFFFAOYSA-N
XLogP3.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate
CID 110403830
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-phenylbutanamide
CID 110420650
1-(2-morpholin-4-yl-3-phenylpropyl)-3-propylurea
CID 110403837
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111309497
2-cyclopropyl-2-(4-fluorophenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)acetamide
CID 110420949
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide
CID 119995673

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide (CID 110418357) is 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide is COc1ccc(C(C)CC(=O)NCC(Cc2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide?
The InChIKey is NTYUFBTZNPRXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-19(21-8-10-23(28-2)11-9-21)16-24(27)25-18-22(26-12-14-29-15-13-26)17-20-6-4-3-5-7-20/h3-11,19,22H,12-18H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide?
3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide has a molecular weight of 396.53 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide is sourced from PubChem (CID 110418357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).