7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide

C16H26N2O2 — CID 61027379

IUPAC7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
SMILESCOc1ccccc1CN(C)C(=O)CCCCCCN
InChIInChI=1S/C16H26N2O2/c1-18(16(19)11-5-3-4-8-12-17)13-14-9-6-7-10-15(14)20-2/h6-7,9-10H,3-5,8,11-13,17H2,1-2H3
InChIKeyXGNIGGQJTFJSIT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.56
Rot. Bonds9

About 7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide

7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide (PubChem CID 61027379) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide.

Molecular Properties

Compound Name7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
PubChem CID61027379
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
SMILESCOc1ccccc1CN(C)C(=O)CCCCCCN
InChIInChI=1S/C16H26N2O2/c1-18(16(19)11-5-3-4-8-12-17)13-14-9-6-7-10-15(14)20-2/h6-7,9-10H,3-5,8,11-13,17H2,1-2H3
InChIKeyXGNIGGQJTFJSIT-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119278553
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94685610
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide
CID 142014071

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide?
The IUPAC name of 7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide (CID 61027379) is 7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide.
What is the SMILES notation for 7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide?
The canonical SMILES for 7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide is COc1ccccc1CN(C)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide?
The InChIKey is XGNIGGQJTFJSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(16(19)11-5-3-4-8-12-17)13-14-9-6-7-10-15(14)20-2/h6-7,9-10H,3-5,8,11-13,17H2,1-2H3.
What are the key properties of 7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide?
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide has a molecular weight of 278.40 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide is sourced from PubChem (CID 61027379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).