methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate

C13H16N2O3 — CID 110465113

IUPACmethyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C13H16N2O3/c1-18-13(17)14-8-9-2-4-10(5-3-9)12(16)15-11-6-7-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyHHYIXORYHLWTEP-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.43
Rot. Bonds4

About methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate

methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate (PubChem CID 110465113) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
PubChem CID110465113
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C13H16N2O3/c1-18-13(17)14-8-9-2-4-10(5-3-9)12(16)15-11-6-7-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyHHYIXORYHLWTEP-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide
CID 111470046
4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
CID 29206004
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
CID 114549437
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809682
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 9165579
4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 119456323
4-benzyl-N-cyclopropylbenzamide
CID 45086871
methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate
CID 47485169

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate (CID 110465113) is methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate is COC(=O)NCc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate?
The InChIKey is HHYIXORYHLWTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-13(17)14-8-9-2-4-10(5-3-9)12(16)15-11-6-7-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate?
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate has a molecular weight of 248.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate is sourced from PubChem (CID 110465113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).