4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide

C20H26N2O3 — CID 119312826

IUPAC4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide
SMILESCOc1ccc(CC(NC(=O)CCCN)c2ccccc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-24-18-11-10-15(14-19(18)25-2)13-17(16-7-4-3-5-8-16)22-20(23)9-6-12-21/h3-5,7-8,10-11,14,17H,6,9,12-13,21H2,1-2H3,(H,22,23)
InChIKeyCNTFJZLTSPFRRV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.84
Rot. Bonds9

About 4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide

4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide (PubChem CID 119312826) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide
PubChem CID119312826
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide
SMILESCOc1ccc(CC(NC(=O)CCCN)c2ccccc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-24-18-11-10-15(14-19(18)25-2)13-17(16-7-4-3-5-8-16)22-20(23)9-6-12-21/h3-5,7-8,10-11,14,17H,6,9,12-13,21H2,1-2H3,(H,22,23)
InChIKeyCNTFJZLTSPFRRV-UHFFFAOYSA-N
XLogP2.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide;hydrochloride
CID 119312825
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-4-(methylamino)butanamide
CID 119765071
4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide
CID 119300535
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
(2S,5R)-5-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]oxolane-2-carboxamide;hydrochloride
CID 120791253
methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate
CID 119320311
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide
CID 119312818
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride
CID 119312817
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide (CID 119312826) is 4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide is COc1ccc(CC(NC(=O)CCCN)c2ccccc2)cc1OC.
What is the InChIKey of 4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide?
The InChIKey is CNTFJZLTSPFRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-18-11-10-15(14-19(18)25-2)13-17(16-7-4-3-5-8-16)22-20(23)9-6-12-21/h3-5,7-8,10-11,14,17H,6,9,12-13,21H2,1-2H3,(H,22,23).
What are the key properties of 4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide?
4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide has a molecular weight of 342.44 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide is sourced from PubChem (CID 119312826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).