6-amino-N-(3-ethylphenyl)-2-methylheptanamide

C16H26N2O — CID 65293048

IUPAC6-amino-N-(3-ethylphenyl)-2-methylheptanamide
SMILESCCc1cccc(NC(=O)C(C)CCCC(C)N)c1
InChIInChI=1S/C16H26N2O/c1-4-14-9-6-10-15(11-14)18-16(19)12(2)7-5-8-13(3)17/h6,9-13H,4-5,7-8,17H2,1-3H3,(H,18,19)
InChIKeyOLTDTUCRTASWGF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.34
Rot. Bonds7

About 6-amino-N-(3-ethylphenyl)-2-methylheptanamide

6-amino-N-(3-ethylphenyl)-2-methylheptanamide (PubChem CID 65293048) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-amino-N-(3-ethylphenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(3-ethylphenyl)-2-methylheptanamide
PubChem CID65293048
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name6-amino-N-(3-ethylphenyl)-2-methylheptanamide
SMILESCCc1cccc(NC(=O)C(C)CCCC(C)N)c1
InChIInChI=1S/C16H26N2O/c1-4-14-9-6-10-15(11-14)18-16(19)12(2)7-5-8-13(3)17/h6,9-13H,4-5,7-8,17H2,1-3H3,(H,18,19)
InChIKeyOLTDTUCRTASWGF-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-(3-fluorophenyl)-2-methylheptanamide
CID 65292739
6-amino-N-(3-cyanophenyl)-2-methylheptanamide
CID 65292842
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide
CID 113440853
2-amino-N-(3-ethylphenyl)butanediamide
CID 54928255
6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
CID 65291128
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
5-[(6-amino-2-methylheptanoyl)amino]-2-methylbenzoic acid
CID 65291238

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-ethylphenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(3-ethylphenyl)-2-methylheptanamide (CID 65293048) is 6-amino-N-(3-ethylphenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(3-ethylphenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(3-ethylphenyl)-2-methylheptanamide is CCc1cccc(NC(=O)C(C)CCCC(C)N)c1.
What is the InChIKey of 6-amino-N-(3-ethylphenyl)-2-methylheptanamide?
The InChIKey is OLTDTUCRTASWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14-9-6-10-15(11-14)18-16(19)12(2)7-5-8-13(3)17/h6,9-13H,4-5,7-8,17H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-N-(3-ethylphenyl)-2-methylheptanamide?
6-amino-N-(3-ethylphenyl)-2-methylheptanamide has a molecular weight of 262.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-ethylphenyl)-2-methylheptanamide is sourced from PubChem (CID 65293048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).