4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide

C18H27N3O3 — CID 167769772

IUPAC4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCCOc1ccccc1CNC(=O)NC1CCC(C(=O)NC)CC1
InChIInChI=1S/C18H27N3O3/c1-3-24-16-7-5-4-6-14(16)12-20-18(23)21-15-10-8-13(9-11-15)17(22)19-2/h4-7,13,15H,3,8-12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyVMQIFCCGTOWDOE-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.19
Rot. Bonds6

About 4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide

4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide (PubChem CID 167769772) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
PubChem CID167769772
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCCOc1ccccc1CNC(=O)NC1CCC(C(=O)NC)CC1
InChIInChI=1S/C18H27N3O3/c1-3-24-16-7-5-4-6-14(16)12-20-18(23)21-15-10-8-13(9-11-15)17(22)19-2/h4-7,13,15H,3,8-12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyVMQIFCCGTOWDOE-UHFFFAOYSA-N
XLogP2.19
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[2-(methylsulfonylmethyl)phenyl]methylcarbamoylamino]cyclohexane-1-carboxamide
CID 166210889
trans-(1R,3R)-N-[(2-ethoxyphenyl)methyl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide
CID 172890031
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338222
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea
CID 108893285
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255952
4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 167837881
N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide (CID 167769772) is 4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide is CCOc1ccccc1CNC(=O)NC1CCC(C(=O)NC)CC1.
What is the InChIKey of 4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is VMQIFCCGTOWDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-24-16-7-5-4-6-14(16)12-20-18(23)21-15-10-8-13(9-11-15)17(22)19-2/h4-7,13,15H,3,8-12H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 167769772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).