butyl N-[2-(4-methylanilino)phenyl]carbamate

C18H22N2O2 — CID 108745026

IUPACbutyl N-[2-(4-methylanilino)phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccccc1Nc1ccc(C)cc1
InChIInChI=1S/C18H22N2O2/c1-3-4-13-22-18(21)20-17-8-6-5-7-16(17)19-15-11-9-14(2)10-12-15/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyJVIAVHGQIULICJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.09
Rot. Bonds6

About butyl N-[2-(4-methylanilino)phenyl]carbamate

butyl N-[2-(4-methylanilino)phenyl]carbamate (PubChem CID 108745026) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is butyl N-[2-(4-methylanilino)phenyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-(4-methylanilino)phenyl]carbamate
PubChem CID108745026
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Namebutyl N-[2-(4-methylanilino)phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccccc1Nc1ccc(C)cc1
InChIInChI=1S/C18H22N2O2/c1-3-4-13-22-18(21)20-17-8-6-5-7-16(17)19-15-11-9-14(2)10-12-15/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyJVIAVHGQIULICJ-UHFFFAOYSA-N
XLogP5.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate
CID 108745022
ethyl N-(2-anilinophenyl)carbamate
CID 12930175
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
butyl N-[2-[[4-(butoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 141353878
butyl N-[4-[2-amino-3-(aminomethyl)anilino]phenyl]carbamate
CID 174727415
butyl N-(2-sulfamoylphenyl)carbamate
CID 140550140
methyl 2-[2-(butoxycarbonylamino)phenyl]-2-oxoacetate
CID 70472077
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
3-[2-(butoxycarbonylamino)phenyl]propanoic acid
CID 70037125
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate
CID 2248835
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-(4-methylanilino)phenyl]carbamate?
The IUPAC name of butyl N-[2-(4-methylanilino)phenyl]carbamate (CID 108745026) is butyl N-[2-(4-methylanilino)phenyl]carbamate.
What is the SMILES notation for butyl N-[2-(4-methylanilino)phenyl]carbamate?
The canonical SMILES for butyl N-[2-(4-methylanilino)phenyl]carbamate is CCCCOC(=O)Nc1ccccc1Nc1ccc(C)cc1.
What is the InChIKey of butyl N-[2-(4-methylanilino)phenyl]carbamate?
The InChIKey is JVIAVHGQIULICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-4-13-22-18(21)20-17-8-6-5-7-16(17)19-15-11-9-14(2)10-12-15/h5-12,19H,3-4,13H2,1-2H3,(H,20,21).
What are the key properties of butyl N-[2-(4-methylanilino)phenyl]carbamate?
butyl N-[2-(4-methylanilino)phenyl]carbamate has a molecular weight of 298.39 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-(4-methylanilino)phenyl]carbamate is sourced from PubChem (CID 108745026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).