2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide

C17H28N2O2 — CID 43675083

IUPAC2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide
SMILESCOc1cccc(C(C)NC(CC(C)C)C(=O)N(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)10-16(17(20)19(4)5)18-13(3)14-8-7-9-15(11-14)21-6/h7-9,11-13,16,18H,10H2,1-6H3
InChIKeyDSIKWGQVXXDMKC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.85
Rot. Bonds7

About 2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide

2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide (PubChem CID 43675083) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide
PubChem CID43675083
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide
SMILESCOc1cccc(C(C)NC(CC(C)C)C(=O)N(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)10-16(17(20)19(4)5)18-13(3)14-8-7-9-15(11-14)21-6/h7-9,11-13,16,18H,10H2,1-6H3
InChIKeyDSIKWGQVXXDMKC-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(3-methoxyphenyl)ethylamino]-4-methylpentanoate
CID 43689061
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 81353670
4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81372994
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115588995
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide (CID 43675083) is 2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide is COc1cccc(C(C)NC(CC(C)C)C(=O)N(C)C)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide?
The InChIKey is DSIKWGQVXXDMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)10-16(17(20)19(4)5)18-13(3)14-8-7-9-15(11-14)21-6/h7-9,11-13,16,18H,10H2,1-6H3.
What are the key properties of 2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide?
2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 43675083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).