6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide

C17H28N2O2 — CID 81353778

IUPAC6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
SMILESCOc1cccc([C@@H](C)NC(=O)CCC(C)(C)CCN)c1
InChIInChI=1S/C17H28N2O2/c1-13(14-6-5-7-15(12-14)21-4)19-16(20)8-9-17(2,3)10-11-18/h5-7,12-13H,8-11,18H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyOJTGINKVNDJISY-CYBMUJFWSA-N
MW292.42 g/mol
LogP3.03
Rot. Bonds8

About 6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide

6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide (PubChem CID 81353778) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
PubChem CID81353778
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
SMILESCOc1cccc([C@@H](C)NC(=O)CCC(C)(C)CCN)c1
InChIInChI=1S/C17H28N2O2/c1-13(14-6-5-7-15(12-14)21-4)19-16(20)8-9-17(2,3)10-11-18/h5-7,12-13H,8-11,18H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyOJTGINKVNDJISY-CYBMUJFWSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81368822
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
5-[1-(3-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 61058990
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 81373961
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
6-amino-1-(3-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574825
2-(2-aminophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 61102582
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
2-(2-fluorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 42563585
2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81373712

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide (CID 81353778) is 6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide is COc1cccc([C@@H](C)NC(=O)CCC(C)(C)CCN)c1.
What is the InChIKey of 6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide?
The InChIKey is OJTGINKVNDJISY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(14-6-5-7-15(12-14)21-4)19-16(20)8-9-17(2,3)10-11-18/h5-7,12-13H,8-11,18H2,1-4H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide?
6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide has a molecular weight of 292.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide is sourced from PubChem (CID 81353778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).