butyl N-[(2-methylphenyl)methyl]carbamate

C13H19NO2 — CID 70509703

IUPACbutyl N-[(2-methylphenyl)methyl]carbamate
SMILESCCCCOC(=O)NCc1ccccc1C
InChIInChI=1S/C13H19NO2/c1-3-4-9-16-13(15)14-10-12-8-6-5-7-11(12)2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyMJOUIBCIWNAHNF-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.02
Rot. Bonds5

About butyl N-[(2-methylphenyl)methyl]carbamate

butyl N-[(2-methylphenyl)methyl]carbamate (PubChem CID 70509703) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is butyl N-[(2-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Namebutyl N-[(2-methylphenyl)methyl]carbamate
PubChem CID70509703
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namebutyl N-[(2-methylphenyl)methyl]carbamate
SMILESCCCCOC(=O)NCc1ccccc1C
InChIInChI=1S/C13H19NO2/c1-3-4-9-16-13(15)14-10-12-8-6-5-7-11(12)2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyMJOUIBCIWNAHNF-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-[(2-methylphenyl)methyl]oxamide
CID 2174476
[2-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamic acid
CID 175218190
butyl N-[(4-hydroxyphenyl)methyl]carbamate
CID 67634230
3-[(2-methylphenyl)methylamino]propyl butanoate
CID 82533269
[2-[2-(butoxycarbonylamino)ethyl]phenyl] methanesulfonate
CID 88708329
butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
2-[2-[(butoxycarbonylamino)methyl]phenyl]benzoic acid;2-pyridin-2-ylethanamine
CID 172761323
3-[(2-methylphenyl)methylamino]propyl acetate
CID 82533271
2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213
(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119270636
2-(butoxycarbonylamino)ethyl benzoate
CID 570837
butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate
CID 155071735

Frequently Asked Questions

What is the IUPAC name of butyl N-[(2-methylphenyl)methyl]carbamate?
The IUPAC name of butyl N-[(2-methylphenyl)methyl]carbamate (CID 70509703) is butyl N-[(2-methylphenyl)methyl]carbamate.
What is the SMILES notation for butyl N-[(2-methylphenyl)methyl]carbamate?
The canonical SMILES for butyl N-[(2-methylphenyl)methyl]carbamate is CCCCOC(=O)NCc1ccccc1C.
What is the InChIKey of butyl N-[(2-methylphenyl)methyl]carbamate?
The InChIKey is MJOUIBCIWNAHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-4-9-16-13(15)14-10-12-8-6-5-7-11(12)2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15).
What are the key properties of butyl N-[(2-methylphenyl)methyl]carbamate?
butyl N-[(2-methylphenyl)methyl]carbamate has a molecular weight of 221.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(2-methylphenyl)methyl]carbamate is sourced from PubChem (CID 70509703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).