N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide

C24H32N2O3 — CID 127035008

IUPACN-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide
SMILESCOc1ccccc1NC(=O)CCCNC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-17(2)16-19-11-13-20(14-12-19)18(3)24(28)25-15-7-10-23(27)26-21-8-5-6-9-22(21)29-4/h5-6,8-9,11-14,17-18H,7,10,15-16H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyQUJMGSISPZGVFH-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.53
Rot. Bonds10

About N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide

N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide (PubChem CID 127035008) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide
PubChem CID127035008
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide
SMILESCOc1ccccc1NC(=O)CCCNC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-17(2)16-19-11-13-20(14-12-19)18(3)24(28)25-15-7-10-23(27)26-21-8-5-6-9-22(21)29-4/h5-6,8-9,11-14,17-18H,7,10,15-16H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyQUJMGSISPZGVFH-UHFFFAOYSA-N
XLogP4.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 54781980
N-(4-tert-butylphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide
CID 127037570
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
(2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide
CID 40803195
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 41088668
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333
N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 2827389
4-methylpentyl 5-(2-methoxyanilino)-5-oxopentanoate
CID 91711821
triethyl-[3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propyl]azanium
CID 22218584

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide (CID 127035008) is N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide is COc1ccccc1NC(=O)CCCNC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide?
The InChIKey is QUJMGSISPZGVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17(2)16-19-11-13-20(14-12-19)18(3)24(28)25-15-7-10-23(27)26-21-8-5-6-9-22(21)29-4/h5-6,8-9,11-14,17-18H,7,10,15-16H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide?
N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide has a molecular weight of 396.53 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide is sourced from PubChem (CID 127035008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).