methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate

C16H20N2O3 — CID 71910950

IUPACmethyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C16H20N2O3/c1-21-15(20)18-13-5-3-2-4-12(13)14(19)17-10-16(8-9-16)11-6-7-11/h2-5,11H,6-10H2,1H3,(H,17,19)(H,18,20)
InChIKeySXFDERJAWBHOQI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.78
Rot. Bonds5

About methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate

methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate (PubChem CID 71910950) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate
PubChem CID71910950
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C16H20N2O3/c1-21-15(20)18-13-5-3-2-4-12(13)14(19)17-10-16(8-9-16)11-6-7-11/h2-5,11H,6-10H2,1H3,(H,17,19)(H,18,20)
InChIKeySXFDERJAWBHOQI-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide
CID 114096122
2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid
CID 103932730
N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954916
2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide
CID 103839379
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 113352947
tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
CID 65143006
methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate
CID 56789409
2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide
CID 103839382
N-[(1-cyclopropylcyclopropyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 103841045
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103839294

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate (CID 71910950) is methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate is COC(=O)Nc1ccccc1C(=O)NCC1(C2CC2)CC1.
What is the InChIKey of methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate?
The InChIKey is SXFDERJAWBHOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-15(20)18-13-5-3-2-4-12(13)14(19)17-10-16(8-9-16)11-6-7-11/h2-5,11H,6-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate?
methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 71910950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).