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

C22H28N2O3 — CID 86876464

IUPAC2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CC2CC2)C(C)c2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-16(18-7-5-4-6-8-18)24(14-17-9-10-17)15-22(25)23-19-11-12-20(26-2)21(13-19)27-3/h4-8,11-13,16-17H,9-10,14-15H2,1-3H3,(H,23,25)
InChIKeyOTOOBPUBJIDGFP-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.12
Rot. Bonds9

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

2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 86876464) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID86876464
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CC2CC2)C(C)c2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-16(18-7-5-4-6-8-18)24(14-17-9-10-17)15-22(25)23-19-11-12-20(26-2)21(13-19)27-3/h4-8,11-13,16-17H,9-10,14-15H2,1-3H3,(H,23,25)
InChIKeyOTOOBPUBJIDGFP-UHFFFAOYSA-N
XLogP4.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[methyl-[1-(4-methylphenyl)ethyl]amino]acetamide
CID 78901140
2-[cyclopropylmethyl-[3-[(3,4-dimethoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073765
N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide
CID 86876459
2-[acetyl(cyclopentyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113159345
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167201
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834231
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea
CID 51944503

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide (CID 86876464) is 2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(CC2CC2)C(C)c2ccccc2)cc1OC.
What is the InChIKey of 2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is OTOOBPUBJIDGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(18-7-5-4-6-8-18)24(14-17-9-10-17)15-22(25)23-19-11-12-20(26-2)21(13-19)27-3/h4-8,11-13,16-17H,9-10,14-15H2,1-3H3,(H,23,25).
What are the key properties of 2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 86876464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).