2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

C17H28N2O2 — CID 86910816

IUPAC2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCCCN(CC)CC(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H28N2O2/c1-5-7-11-19(6-2)14-17(20)18(3)13-15-9-8-10-16(12-15)21-4/h8-10,12H,5-7,11,13-14H2,1-4H3
InChIKeyRZTWOEZHULVMSD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.78
Rot. Bonds9

About 2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 86910816) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID86910816
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCCCN(CC)CC(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H28N2O2/c1-5-7-11-19(6-2)14-17(20)18(3)13-15-9-8-10-16(12-15)21-4/h8-10,12H,5-7,11,13-14H2,1-4H3
InChIKeyRZTWOEZHULVMSD-UHFFFAOYSA-N
XLogP2.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78826757
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648313
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 78823618
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 21119882
N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (CID 86910816) is 2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is CCCCN(CC)CC(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is RZTWOEZHULVMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-7-11-19(6-2)14-17(20)18(3)13-15-9-8-10-16(12-15)21-4/h8-10,12H,5-7,11,13-14H2,1-4H3.
What are the key properties of 2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 86910816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).