2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C17H28N2O2 — CID 58313557

IUPAC2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCN(C(=O)CNC(C)(C)C)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C17H28N2O2/c1-7-19(16(20)12-18-17(3,4)5)13(2)14-10-8-9-11-15(14)21-6/h8-11,13,18H,7,12H2,1-6H3/t13-/m0/s1
InChIKeyINSMKGGMOUOJGW-ZDUSSCGKSA-N
MW292.42 g/mol
LogP2.99
Rot. Bonds6

About 2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 58313557) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID58313557
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCN(C(=O)CNC(C)(C)C)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C17H28N2O2/c1-7-19(16(20)12-18-17(3,4)5)13(2)14-10-8-9-11-15(14)21-6/h8-11,13,18H,7,12H2,1-6H3/t13-/m0/s1
InChIKeyINSMKGGMOUOJGW-ZDUSSCGKSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 58313512
1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 58313619
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
2-[1-(2-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214134
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
(2S)-2-N-tert-butyl-1-N-ethyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 58313578
(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
2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78960889

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 58313557) is 2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is CCN(C(=O)CNC(C)(C)C)[C@@H](C)c1ccccc1OC.
What is the InChIKey of 2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is INSMKGGMOUOJGW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-7-19(16(20)12-18-17(3,4)5)13(2)14-10-8-9-11-15(14)21-6/h8-11,13,18H,7,12H2,1-6H3/t13-/m0/s1.
What are the key properties of 2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 58313557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).