N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide

C19H28N2O2 — CID 46996249

IUPACN-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide
SMILESC=CCN(Cc1cccc(OC)c1)C(=O)C1CCCCCN1C
InChIInChI=1S/C19H28N2O2/c1-4-12-21(15-16-9-8-10-17(14-16)23-3)19(22)18-11-6-5-7-13-20(18)2/h4,8-10,14,18H,1,5-7,11-13,15H2,2-3H3
InChIKeySEYCZHZPTXOQIL-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.08
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide

N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide (PubChem CID 46996249) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide
PubChem CID46996249
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide
SMILESC=CCN(Cc1cccc(OC)c1)C(=O)C1CCCCCN1C
InChIInChI=1S/C19H28N2O2/c1-4-12-21(15-16-9-8-10-17(14-16)23-3)19(22)18-11-6-5-7-13-20(18)2/h4,8-10,14,18H,1,5-7,11-13,15H2,2-3H3
InChIKeySEYCZHZPTXOQIL-UHFFFAOYSA-N
XLogP3.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylcyclobutanecarboxamide
CID 810263
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 50981672
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 46992128
N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 55982263
(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 126836586
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
1-[(3-methoxyphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 71941905
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058368
N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide
CID 74242769
1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone
CID 79659383

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide (CID 46996249) is N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide is C=CCN(Cc1cccc(OC)c1)C(=O)C1CCCCCN1C.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide?
The InChIKey is SEYCZHZPTXOQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-12-21(15-16-9-8-10-17(14-16)23-3)19(22)18-11-6-5-7-13-20(18)2/h4,8-10,14,18H,1,5-7,11-13,15H2,2-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide is sourced from PubChem (CID 46996249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).