3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide

C18H26N2O2 — CID 119741679

IUPAC3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C18H26N2O2/c1-3-11-20(13-14-7-9-17(22-2)10-8-14)18(21)15-5-4-6-16(19)12-15/h3,7-10,15-16H,1,4-6,11-13,19H2,2H3
InChIKeyHUJFYKUMJMTMRL-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.73
Rot. Bonds6

About 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide

3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide (PubChem CID 119741679) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
PubChem CID119741679
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C18H26N2O2/c1-3-11-20(13-14-7-9-17(22-2)10-8-14)18(21)15-5-4-6-16(19)12-15/h3,7-10,15-16H,1,4-6,11-13,19H2,2H3
InChIKeyHUJFYKUMJMTMRL-UHFFFAOYSA-N
XLogP2.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-amino-N-[(2-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 131912242
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119299361
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737170
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119764011
3-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119709118
cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 133113913
3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344
N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 55982263
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
cis-(1R,3S)-3-amino-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 124885891
N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 87030348

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide (CID 119741679) is 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide is C=CCN(Cc1ccc(OC)cc1)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide?
The InChIKey is HUJFYKUMJMTMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-11-20(13-14-7-9-17(22-2)10-8-14)18(21)15-5-4-6-16(19)12-15/h3,7-10,15-16H,1,4-6,11-13,19H2,2H3.
What are the key properties of 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide?
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide is sourced from PubChem (CID 119741679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).