2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide

C21H28N2O3 — CID 20994903

IUPAC2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
SMILESCOc1ccc(C(C)NCC(=O)NCC(C)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-15(17-8-6-5-7-9-17)13-23-21(24)14-22-16(2)18-10-11-19(25-3)20(12-18)26-4/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24)
InChIKeyMBZMUGXRTFJWEK-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.27
Rot. Bonds9

About 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide

2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide (PubChem CID 20994903) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
PubChem CID20994903
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
SMILESCOc1ccc(C(C)NCC(=O)NCC(C)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-15(17-8-6-5-7-9-17)13-23-21(24)14-22-16(2)18-10-11-19(25-3)20(12-18)26-4/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24)
InChIKeyMBZMUGXRTFJWEK-UHFFFAOYSA-N
XLogP3.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
CID 47011194
N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide
CID 61172776
1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea
CID 51944503
2-methoxy-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 42910698
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9427335
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81373699
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119720016
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 62331698
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(2R)-2-phenylpropyl]acetamide
CID 125057558
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide (CID 20994903) is 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide is COc1ccc(C(C)NCC(=O)NCC(C)c2ccccc2)cc1OC.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide?
The InChIKey is MBZMUGXRTFJWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(17-8-6-5-7-9-17)13-23-21(24)14-22-16(2)18-10-11-19(25-3)20(12-18)26-4/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24).
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide?
2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 20994903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).