butane;methyl N-(4-methylphenyl)carbamate

C13H21NO2 — CID 155739087

IUPACbutane;methyl N-(4-methylphenyl)carbamate
SMILESCCCC.COC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C9H11NO2.C4H10/c1-7-3-5-8(6-4-7)10-9(11)12-2;1-3-4-2/h3-6H,1-2H3,(H,10,11);3-4H2,1-2H3
InChIKeyKBWSMXOQCDNPAE-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.98
Rot. Bonds2

About butane;methyl N-(4-methylphenyl)carbamate

butane;methyl N-(4-methylphenyl)carbamate (PubChem CID 155739087) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is butane;methyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Namebutane;methyl N-(4-methylphenyl)carbamate
PubChem CID155739087
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Namebutane;methyl N-(4-methylphenyl)carbamate
SMILESCCCC.COC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C9H11NO2.C4H10/c1-7-3-5-8(6-4-7)10-9(11)12-2;1-3-4-2/h3-6H,1-2H3,(H,10,11);3-4H2,1-2H3
InChIKeyKBWSMXOQCDNPAE-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
diethyl 2-[(4-methylphenyl)carbamoyl]propanedioate
CID 135030041
amino N-(4-methylphenyl)carbamate
CID 22737872
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
2-ethoxyethyl N-(4-methylphenyl)carbamate
CID 4614670
methyl N-(4-sulfanylphenyl)carbamate
CID 603048
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
N-(4-methylphenyl)acetamide
CID 7684
N-(4-methylphenyl)pentanamide
CID 3662375

Frequently Asked Questions

What is the IUPAC name of butane;methyl N-(4-methylphenyl)carbamate?
The IUPAC name of butane;methyl N-(4-methylphenyl)carbamate (CID 155739087) is butane;methyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for butane;methyl N-(4-methylphenyl)carbamate?
The canonical SMILES for butane;methyl N-(4-methylphenyl)carbamate is CCCC.COC(=O)Nc1ccc(C)cc1.
What is the InChIKey of butane;methyl N-(4-methylphenyl)carbamate?
The InChIKey is KBWSMXOQCDNPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C4H10/c1-7-3-5-8(6-4-7)10-9(11)12-2;1-3-4-2/h3-6H,1-2H3,(H,10,11);3-4H2,1-2H3.
What are the key properties of butane;methyl N-(4-methylphenyl)carbamate?
butane;methyl N-(4-methylphenyl)carbamate has a molecular weight of 223.32 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 155739087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).