7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide

C16H26N2O2 — CID 60937309

IUPAC7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
SMILESCOc1ccc(CN(C)C(=O)CCCCCCN)cc1
InChIInChI=1S/C16H26N2O2/c1-18(16(19)7-5-3-4-6-12-17)13-14-8-10-15(20-2)11-9-14/h8-11H,3-7,12-13,17H2,1-2H3
InChIKeyTVTKTPUEVDDEJJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.56
Rot. Bonds9

About 7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide

7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide (PubChem CID 60937309) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide.

Molecular Properties

Compound Name7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
PubChem CID60937309
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
SMILESCOc1ccc(CN(C)C(=O)CCCCCCN)cc1
InChIInChI=1S/C16H26N2O2/c1-18(16(19)7-5-3-4-6-12-17)13-14-8-10-15(20-2)11-9-14/h8-11H,3-7,12-13,17H2,1-2H3
InChIKeyTVTKTPUEVDDEJJ-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

7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
CID 60938150
7-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]heptanamide;hydrochloride
CID 119807762
5-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012231
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
CID 115155334
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 80542826

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide?
The IUPAC name of 7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide (CID 60937309) is 7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide.
What is the SMILES notation for 7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide?
The canonical SMILES for 7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide is COc1ccc(CN(C)C(=O)CCCCCCN)cc1.
What is the InChIKey of 7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide?
The InChIKey is TVTKTPUEVDDEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(16(19)7-5-3-4-6-12-17)13-14-8-10-15(20-2)11-9-14/h8-11H,3-7,12-13,17H2,1-2H3.
What are the key properties of 7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide?
7-amino-N-[(4-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-[(4-methoxyphenyl)methyl]-N-methylheptanamide is sourced from PubChem (CID 60937309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).