N-(2-methylbutyl)-N-phenylcarbamate

C12H16NO2- — CID 21460549

IUPACN-(2-methylbutyl)-N-phenylcarbamate
SMILESCCC(C)CN(C(=O)[O-])c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-10(2)9-13(12(14)15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15)/p-1
InChIKeyGPRVQMZSBLNPOL-UHFFFAOYSA-M
MW206.27 g/mol
LogP1.88
Rot. Bonds4

About N-(2-methylbutyl)-N-phenylcarbamate

N-(2-methylbutyl)-N-phenylcarbamate (PubChem CID 21460549) has the molecular formula C12H16NO2- and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(2-methylbutyl)-N-phenylcarbamate.

Molecular Properties

Compound NameN-(2-methylbutyl)-N-phenylcarbamate
PubChem CID21460549
Molecular FormulaC12H16NO2-
Molecular Weight206.27 g/mol
Exact Mass206.12
IUPAC NameN-(2-methylbutyl)-N-phenylcarbamate
SMILESCCC(C)CN(C(=O)[O-])c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-10(2)9-13(12(14)15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15)/p-1
InChIKeyGPRVQMZSBLNPOL-UHFFFAOYSA-M
XLogP1.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid
CID 54211065
N,3-dimethyl-N-phenylpentanamide
CID 147359069
N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide
CID 141232739
N-(2-methylpropyl)-N-phenylcarbamoyl chloride
CID 20551108
2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
CID 61199656
N-(butan-2-yloxymethyl)-N-phenylacetamide
CID 11117602
N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 166510435
N-[2-[bis(2-chloroethyl)amino]-2-oxoethyl]-N-phenylcarbamate
CID 57362028
1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one
CID 43796143
2-[N-[2-(aminomethyl)butanoyl]anilino]acetic acid
CID 65229507
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-N-phenylcarbamate?
The IUPAC name of N-(2-methylbutyl)-N-phenylcarbamate (CID 21460549) is N-(2-methylbutyl)-N-phenylcarbamate.
What is the SMILES notation for N-(2-methylbutyl)-N-phenylcarbamate?
The canonical SMILES for N-(2-methylbutyl)-N-phenylcarbamate is CCC(C)CN(C(=O)[O-])c1ccccc1.
What is the InChIKey of N-(2-methylbutyl)-N-phenylcarbamate?
The InChIKey is GPRVQMZSBLNPOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17NO2/c1-3-10(2)9-13(12(14)15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15)/p-1.
What are the key properties of N-(2-methylbutyl)-N-phenylcarbamate?
N-(2-methylbutyl)-N-phenylcarbamate has a molecular weight of 206.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-N-phenylcarbamate is sourced from PubChem (CID 21460549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).