N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide

C17H27NO2 — CID 71250291

IUPACN,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide
SMILESCCC(c1cccc(OC)c1)C(C)C(=O)N(CC)CC
InChIInChI=1S/C17H27NO2/c1-6-16(13(4)17(19)18(7-2)8-3)14-10-9-11-15(12-14)20-5/h9-13,16H,6-8H2,1-5H3
InChIKeyJBXFZGPWPMGZKX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds7

About N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide

N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide (PubChem CID 71250291) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide
PubChem CID71250291
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide
SMILESCCC(c1cccc(OC)c1)C(C)C(=O)N(CC)CC
InChIInChI=1S/C17H27NO2/c1-6-16(13(4)17(19)18(7-2)8-3)14-10-9-11-15(12-14)20-5/h9-13,16H,6-8H2,1-5H3
InChIKeyJBXFZGPWPMGZKX-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
CID 67298001
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
(2R)-N,N-diethyl-2-(3-methoxyphenoxy)butanamide
CID 99950238
(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
CID 78358059
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833
(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide
CID 140960898
(2S,3S)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine;hydrochloride
CID 69414661
(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide
CID 118204661
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
[(2R,3R)-3-(3-methoxyphenyl)-2-methylpentyl]-dimethylazanium
CID 86313247
(2S,3S)-2-methyl-3-(3-propoxyphenyl)pentanoic acid
CID 125467992

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide?
The IUPAC name of N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide (CID 71250291) is N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide.
What is the SMILES notation for N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide?
The canonical SMILES for N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide is CCC(c1cccc(OC)c1)C(C)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide?
The InChIKey is JBXFZGPWPMGZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-16(13(4)17(19)18(7-2)8-3)14-10-9-11-15(12-14)20-5/h9-13,16H,6-8H2,1-5H3.
What are the key properties of N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide?
N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide has a molecular weight of 277.41 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide is sourced from PubChem (CID 71250291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).