N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide

C17H24N2O4 — CID 133246150

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCC(C)C1
InChIInChI=1S/C17H24N2O4/c1-12-4-3-9-17(10-12,22-2)16(21)19-13-5-7-14(8-6-13)23-11-15(18)20/h5-8,12H,3-4,9-11H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyJZLOYPJBHGVVCM-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.08
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide (PubChem CID 133246150) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
PubChem CID133246150
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCC(C)C1
InChIInChI=1S/C17H24N2O4/c1-12-4-3-9-17(10-12,22-2)16(21)19-13-5-7-14(8-6-13)23-11-15(18)20/h5-8,12H,3-4,9-11H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyJZLOYPJBHGVVCM-UHFFFAOYSA-N
XLogP2.08
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide
CID 100706928
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 99822465
cis-(1S,3S)-N-[4-(2-bromoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100706082
cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100705982
trans-(1S,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100706109
cis-(1R,3R)-1-methoxy-3-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100706654
cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100705713
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100706271
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060712
cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 100731776
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
cis-(1S,3S)-1-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylcyclohexane-1-carboxamide
CID 100775383

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide (CID 133246150) is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide is COC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCC(C)C1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide?
The InChIKey is JZLOYPJBHGVVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-4-3-9-17(10-12,22-2)16(21)19-13-5-7-14(8-6-13)23-11-15(18)20/h5-8,12H,3-4,9-11H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 133246150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).