N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide

C18H29NO2 — CID 58313512

IUPACN-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
SMILESCCN(C(=O)CCC(C)(C)C)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C18H29NO2/c1-7-19(17(20)12-13-18(3,4)5)14(2)15-10-8-9-11-16(15)21-6/h8-11,14H,7,12-13H2,1-6H3/t14-/m0/s1
InChIKeyFYTFLTYBYSEJIE-AWEZNQCLSA-N
MW291.44 g/mol
LogP4.43
Rot. Bonds6

About N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide

N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide (PubChem CID 58313512) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
PubChem CID58313512
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
SMILESCCN(C(=O)CCC(C)(C)C)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C18H29NO2/c1-7-19(17(20)12-13-18(3,4)5)14(2)15-10-8-9-11-16(15)21-6/h8-11,14H,7,12-13H2,1-6H3/t14-/m0/s1
InChIKeyFYTFLTYBYSEJIE-AWEZNQCLSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 58313557
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970067
(3R)-3-hydroxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347397
(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347396
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
CID 94157373
1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 70921714
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65057113
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide?
The IUPAC name of N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide (CID 58313512) is N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide is CCN(C(=O)CCC(C)(C)C)[C@@H](C)c1ccccc1OC.
What is the InChIKey of N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide?
The InChIKey is FYTFLTYBYSEJIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29NO2/c1-7-19(17(20)12-13-18(3,4)5)14(2)15-10-8-9-11-16(15)21-6/h8-11,14H,7,12-13H2,1-6H3/t14-/m0/s1.
What are the key properties of N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide?
N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide has a molecular weight of 291.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 58313512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).