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

C17H28N2O2 — CID 81368822

IUPAC6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
SMILESCOc1ccc([C@H](C)NC(=O)CCC(C)(C)CCN)cc1
InChIInChI=1S/C17H28N2O2/c1-13(14-5-7-15(21-4)8-6-14)19-16(20)9-10-17(2,3)11-12-18/h5-8,13H,9-12,18H2,1-4H3,(H,19,20)/t13-/m0/s1
InChIKeyJOMCQGVUMATNGV-ZDUSSCGKSA-N
MW292.42 g/mol
LogP3.03
Rot. Bonds8

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

6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide (PubChem CID 81368822) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
PubChem CID81368822
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
SMILESCOc1ccc([C@H](C)NC(=O)CCC(C)(C)CCN)cc1
InChIInChI=1S/C17H28N2O2/c1-13(14-5-7-15(21-4)8-6-14)19-16(20)9-10-17(2,3)11-12-18/h5-8,13H,9-12,18H2,1-4H3,(H,19,20)/t13-/m0/s1
InChIKeyJOMCQGVUMATNGV-ZDUSSCGKSA-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

Analyze 6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81353778
6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide
CID 81356680
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574854
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 66195262
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 115426893
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide (CID 81368822) is 6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide is COc1ccc([C@H](C)NC(=O)CCC(C)(C)CCN)cc1.
What is the InChIKey of 6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide?
The InChIKey is JOMCQGVUMATNGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(14-5-7-15(21-4)8-6-14)19-16(20)9-10-17(2,3)11-12-18/h5-8,13H,9-12,18H2,1-4H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide?
6-amino-N-[(1S)-1-(4-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-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide is sourced from PubChem (CID 81368822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).