6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide

C18H30N2O — CID 65290863

IUPAC6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide
SMILESCc1ccc(C(C)NC(=O)CCC(C)(C)CCN)c(C)c1
InChIInChI=1S/C18H30N2O/c1-13-6-7-16(14(2)12-13)15(3)20-17(21)8-9-18(4,5)10-11-19/h6-7,12,15H,8-11,19H2,1-5H3,(H,20,21)
InChIKeyFMIAJOMMNAFIOG-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.64
Rot. Bonds7

About 6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide

6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide (PubChem CID 65290863) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide
PubChem CID65290863
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide
SMILESCc1ccc(C(C)NC(=O)CCC(C)(C)CCN)c(C)c1
InChIInChI=1S/C18H30N2O/c1-13-6-7-16(14(2)12-13)15(3)20-17(21)8-9-18(4,5)10-11-19/h6-7,12,15H,8-11,19H2,1-5H3,(H,20,21)
InChIKeyFMIAJOMMNAFIOG-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide
CID 81356680
5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide
CID 82011319
3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94027139
6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide
CID 81383775
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 1225838
5-[1-(2,4-dimethylphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62964709
6-amino-N-[1-(furan-2-yl)ethyl]-4,4-dimethylhexanamide
CID 65293020
2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 61067503
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716665

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide (CID 65290863) is 6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide is Cc1ccc(C(C)NC(=O)CCC(C)(C)CCN)c(C)c1.
What is the InChIKey of 6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide?
The InChIKey is FMIAJOMMNAFIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13-6-7-16(14(2)12-13)15(3)20-17(21)8-9-18(4,5)10-11-19/h6-7,12,15H,8-11,19H2,1-5H3,(H,20,21).
What are the key properties of 6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide?
6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide has a molecular weight of 290.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide is sourced from PubChem (CID 65290863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).