N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide

C20H30N2O2 — CID 8677114

IUPACN-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C20H30N2O2/c1-4-13-24-18-11-9-17(10-12-18)14-22(3)15-20(23)21-19-8-6-5-7-16(19)2/h4,9-12,16,19H,1,5-8,13-15H2,2-3H3,(H,21,23)/t16-,19+/m0/s1
InChIKeyZOYVNIKQRHQQMD-QFBILLFUSA-N
MW330.47 g/mol
LogP3.38
Rot. Bonds8

About N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide

N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide (PubChem CID 8677114) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
PubChem CID8677114
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C20H30N2O2/c1-4-13-24-18-11-9-17(10-12-18)14-22(3)15-20(23)21-19-8-6-5-7-16(19)2/h4,9-12,16,19H,1,5-8,13-15H2,2-3H3,(H,21,23)/t16-,19+/m0/s1
InChIKeyZOYVNIKQRHQQMD-QFBILLFUSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.38
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

2-[(4-bromophenyl)methyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8709638
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
ethyl N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]carbamate
CID 9167602
4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 51227440
2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(2-methylcyclohexyl)acetamide
CID 60585169
N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 60502177
methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9168111
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124737979
N-[1-(4-bromophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 46801665
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8709179

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide (CID 8677114) is N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide is C=CCOc1ccc(CN(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
The InChIKey is ZOYVNIKQRHQQMD-QFBILLFUSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-13-24-18-11-9-17(10-12-18)14-22(3)15-20(23)21-19-8-6-5-7-16(19)2/h4,9-12,16,19H,1,5-8,13-15H2,2-3H3,(H,21,23)/t16-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide has a molecular weight of 330.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 8677114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).