[3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate

C18H18N2O3 — CID 154154080

IUPAC[3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1cccc(NC(=O)C2CC2)c1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20(15-7-3-2-4-8-15)18(22)23-16-9-5-6-14(12-16)19-17(21)13-10-11-13/h2-9,12-13H,10-11H2,1H3,(H,19,21)
InChIKeyWWTGVYNESVPPIK-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.67
Rot. Bonds4

About [3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate

[3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate (PubChem CID 154154080) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate
PubChem CID154154080
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1cccc(NC(=O)C2CC2)c1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20(15-7-3-2-4-8-15)18(22)23-16-9-5-6-14(12-16)19-17(21)13-10-11-13/h2-9,12-13H,10-11H2,1H3,(H,19,21)
InChIKeyWWTGVYNESVPPIK-UHFFFAOYSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 51132954
3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide
CID 17227771
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate
CID 71541824
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927861
1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150541
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 109416121
4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151046
4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674496

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate (CID 154154080) is [3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate is CN(C(=O)Oc1cccc(NC(=O)C2CC2)c1)c1ccccc1.
What is the InChIKey of [3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate?
The InChIKey is WWTGVYNESVPPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20(15-7-3-2-4-8-15)18(22)23-16-9-5-6-14(12-16)19-17(21)13-10-11-13/h2-9,12-13H,10-11H2,1H3,(H,19,21).
What are the key properties of [3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate?
[3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate has a molecular weight of 310.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 154154080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).