6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide

C15H24N2O3 — CID 65290661

IUPAC6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide
SMILESCOc1ccc(NC(=O)C(C)CCCC(C)N)cc1O
InChIInChI=1S/C15H24N2O3/c1-10(5-4-6-11(2)16)15(19)17-12-7-8-14(20-3)13(18)9-12/h7-11,18H,4-6,16H2,1-3H3,(H,17,19)
InChIKeyGDKSNMKUVYWLTM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.49
Rot. Bonds7

About 6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide

6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide (PubChem CID 65290661) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide
PubChem CID65290661
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide
SMILESCOc1ccc(NC(=O)C(C)CCCC(C)N)cc1O
InChIInChI=1S/C15H24N2O3/c1-10(5-4-6-11(2)16)15(19)17-12-7-8-14(20-3)13(18)9-12/h7-11,18H,4-6,16H2,1-3H3,(H,17,19)
InChIKeyGDKSNMKUVYWLTM-UHFFFAOYSA-N
XLogP2.49
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide
CID 65290958
2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 43710840
6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
CID 65291128
5-[(6-amino-2-methylheptanoyl)amino]-2-methylbenzoic acid
CID 65291238
6-amino-N-(3-fluorophenyl)-2-methylheptanamide
CID 65292739
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide
CID 80542482
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048
6-amino-N-(4-cyanophenyl)-2-methylheptanamide
CID 65293297
5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide
CID 104683468
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide (CID 65290661) is 6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide is COc1ccc(NC(=O)C(C)CCCC(C)N)cc1O.
What is the InChIKey of 6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide?
The InChIKey is GDKSNMKUVYWLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(5-4-6-11(2)16)15(19)17-12-7-8-14(20-3)13(18)9-12/h7-11,18H,4-6,16H2,1-3H3,(H,17,19).
What are the key properties of 6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide?
6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide has a molecular weight of 280.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide is sourced from PubChem (CID 65290661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).