phenyl N-(1-cyclopropylethyl)-N-methylcarbamate

C13H17NO2 — CID 60724808

IUPACphenyl N-(1-cyclopropylethyl)-N-methylcarbamate
SMILESCC(C1CC1)N(C)C(=O)Oc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-8-9-11)14(2)13(15)16-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyJSTSOEPRMBQBPS-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.92
Rot. Bonds3

About phenyl N-(1-cyclopropylethyl)-N-methylcarbamate

phenyl N-(1-cyclopropylethyl)-N-methylcarbamate (PubChem CID 60724808) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is phenyl N-(1-cyclopropylethyl)-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-(1-cyclopropylethyl)-N-methylcarbamate
PubChem CID60724808
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namephenyl N-(1-cyclopropylethyl)-N-methylcarbamate
SMILESCC(C1CC1)N(C)C(=O)Oc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-8-9-11)14(2)13(15)16-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyJSTSOEPRMBQBPS-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-(1-cyanopropan-2-yl)-N-methylcarbamate
CID 63225006
N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide
CID 107023150
(2R)-2-amino-N-(1-cyclopropylethyl)-N-methyl-3-phenylpropanamide
CID 78985501
2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
CID 43420538
phenyl N-(2-cyclopropylpropyl)carbamate
CID 115591281
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 42942380
2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43568611
(4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate
CID 54188372
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)benzamide
CID 61375904
(3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide
CID 95336409

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1-cyclopropylethyl)-N-methylcarbamate?
The IUPAC name of phenyl N-(1-cyclopropylethyl)-N-methylcarbamate (CID 60724808) is phenyl N-(1-cyclopropylethyl)-N-methylcarbamate.
What is the SMILES notation for phenyl N-(1-cyclopropylethyl)-N-methylcarbamate?
The canonical SMILES for phenyl N-(1-cyclopropylethyl)-N-methylcarbamate is CC(C1CC1)N(C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(1-cyclopropylethyl)-N-methylcarbamate?
The InChIKey is JSTSOEPRMBQBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(11-8-9-11)14(2)13(15)16-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of phenyl N-(1-cyclopropylethyl)-N-methylcarbamate?
phenyl N-(1-cyclopropylethyl)-N-methylcarbamate has a molecular weight of 219.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1-cyclopropylethyl)-N-methylcarbamate is sourced from PubChem (CID 60724808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).