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

C17H28N2O2 — CID 60938150

IUPAC7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
SMILESCCOc1ccc(CN(C)C(=O)CCCCCCN)cc1
InChIInChI=1S/C17H28N2O2/c1-3-21-16-11-9-15(10-12-16)14-19(2)17(20)8-6-4-5-7-13-18/h9-12H,3-8,13-14,18H2,1-2H3
InChIKeyRVLMCKKHCJVGJP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.95
Rot. Bonds10

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

7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide (PubChem CID 60938150) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide.

Molecular Properties

Compound Name7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
PubChem CID60938150
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
SMILESCCOc1ccc(CN(C)C(=O)CCCCCCN)cc1
InChIInChI=1S/C17H28N2O2/c1-3-21-16-11-9-15(10-12-16)14-19(2)17(20)8-6-4-5-7-13-18/h9-12H,3-8,13-14,18H2,1-2H3
InChIKeyRVLMCKKHCJVGJP-UHFFFAOYSA-N
XLogP2.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.95
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-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
CID 107909192
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012601
7-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]heptanamide;hydrochloride
CID 119807762
N-[4-[(4-ethoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134037247
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60936867
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429
N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
5-(4-ethoxyphenyl)-N-methylpentanehydrazide
CID 116845228

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide?
The IUPAC name of 7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide (CID 60938150) is 7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide.
What is the SMILES notation for 7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide?
The canonical SMILES for 7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide is CCOc1ccc(CN(C)C(=O)CCCCCCN)cc1.
What is the InChIKey of 7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide?
The InChIKey is RVLMCKKHCJVGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-21-16-11-9-15(10-12-16)14-19(2)17(20)8-6-4-5-7-13-18/h9-12H,3-8,13-14,18H2,1-2H3.
What are the key properties of 7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide?
7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide has a molecular weight of 292.42 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide is sourced from PubChem (CID 60938150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).