phenyl N-(2-cyclopropylpropyl)carbamate

C13H17NO2 — CID 115591281

IUPACphenyl N-(2-cyclopropylpropyl)carbamate
SMILESCC(CNC(=O)Oc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO2/c1-10(11-7-8-11)9-14-13(15)16-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,14,15)
InChIKeyCLLDFVMHAWJVPV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.82
Rot. Bonds4

About phenyl N-(2-cyclopropylpropyl)carbamate

phenyl N-(2-cyclopropylpropyl)carbamate (PubChem CID 115591281) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is phenyl N-(2-cyclopropylpropyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-cyclopropylpropyl)carbamate
PubChem CID115591281
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namephenyl N-(2-cyclopropylpropyl)carbamate
SMILESCC(CNC(=O)Oc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO2/c1-10(11-7-8-11)9-14-13(15)16-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,14,15)
InChIKeyCLLDFVMHAWJVPV-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908400
phenyl N-(2-methylsulfanylpropyl)carbamate
CID 115759417
phenyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 113258696
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144
2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
CID 66167293
phenyl N-(2-aminobutyl)carbamate
CID 63732215
phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
CID 113408177
3-amino-N-(2-cyclopropylpropyl)-2-phenylpropanamide
CID 115738526
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
N-(2-cyclopropylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 115591184
phenyl N-(2-oxopropyl)carbamate
CID 18713777
phenyl N-[1-(oxan-4-yl)ethyl]carbamate
CID 103771775

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-cyclopropylpropyl)carbamate?
The IUPAC name of phenyl N-(2-cyclopropylpropyl)carbamate (CID 115591281) is phenyl N-(2-cyclopropylpropyl)carbamate.
What is the SMILES notation for phenyl N-(2-cyclopropylpropyl)carbamate?
The canonical SMILES for phenyl N-(2-cyclopropylpropyl)carbamate is CC(CNC(=O)Oc1ccccc1)C1CC1.
What is the InChIKey of phenyl N-(2-cyclopropylpropyl)carbamate?
The InChIKey is CLLDFVMHAWJVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(11-7-8-11)9-14-13(15)16-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,14,15).
What are the key properties of phenyl N-(2-cyclopropylpropyl)carbamate?
phenyl N-(2-cyclopropylpropyl)carbamate has a molecular weight of 219.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-cyclopropylpropyl)carbamate is sourced from PubChem (CID 115591281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).