6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide

C16H26N2O — CID 65292589

IUPAC6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
SMILESCc1cc(C)cc(NC(=O)C(C)CCCC(C)N)c1
InChIInChI=1S/C16H26N2O/c1-11-8-12(2)10-15(9-11)18-16(19)13(3)6-5-7-14(4)17/h8-10,13-14H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyIPYOTMQSTKRAJO-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.40
Rot. Bonds6

About 6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide

6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide (PubChem CID 65292589) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
PubChem CID65292589
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
SMILESCc1cc(C)cc(NC(=O)C(C)CCCC(C)N)c1
InChIInChI=1S/C16H26N2O/c1-11-8-12(2)10-15(9-11)18-16(19)13(3)6-5-7-14(4)17/h8-10,13-14H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyIPYOTMQSTKRAJO-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
CID 65291128
5-[(6-amino-2-methylheptanoyl)amino]-2-methylbenzoic acid
CID 65291238
6-amino-2-methyl-N-pyrimidin-2-ylheptanamide
CID 65293354
6-amino-N-(3-fluorophenyl)-2-methylheptanamide
CID 65292739
6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048
6-amino-N-(4-cyanophenyl)-2-methylheptanamide
CID 65293297
2-[(6-amino-2-methylheptanoyl)amino]-5-methylbenzoic acid
CID 65292299
6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide
CID 65291097
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide
CID 65290661
6-amino-N-(3-cyanophenyl)-2-methylheptanamide
CID 65292842
6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
CID 107625137

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide (CID 65292589) is 6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide is Cc1cc(C)cc(NC(=O)C(C)CCCC(C)N)c1.
What is the InChIKey of 6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide?
The InChIKey is IPYOTMQSTKRAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-8-12(2)10-15(9-11)18-16(19)13(3)6-5-7-14(4)17/h8-10,13-14H,5-7,17H2,1-4H3,(H,18,19).
What are the key properties of 6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide?
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide has a molecular weight of 262.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide is sourced from PubChem (CID 65292589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).