methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate

C14H21NO2 — CID 123813154

IUPACmethyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate
SMILESCOC(=O)NCC(c1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)13(9-15-14(16)17-4)12-7-5-11(3)6-8-12/h5-8,10,13H,9H2,1-4H3,(H,15,16)
InChIKeyIQQGGIPPGHKNGQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.09
Rot. Bonds4

About methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate

methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate (PubChem CID 123813154) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate
PubChem CID123813154
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate
SMILESCOC(=O)NCC(c1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)13(9-15-14(16)17-4)12-7-5-11(3)6-8-12/h5-8,10,13H,9H2,1-4H3,(H,15,16)
InChIKeyIQQGGIPPGHKNGQ-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
CID 110355408
(2S)-2-amino-3-[4-[[(2R)-3-methyl-2-[4-(4-methylphenyl)phenyl]butyl]carbamoyl]phenyl]propanoic acid
CID 121454766
(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16927927
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide
CID 110314862
1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947
tert-butyl 5-methyl-4-(4-methylphenyl)hexanoate
CID 58439497
3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441342
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
CID 119294102

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate?
The IUPAC name of methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate (CID 123813154) is methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate.
What is the SMILES notation for methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate?
The canonical SMILES for methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate is COC(=O)NCC(c1ccc(C)cc1)C(C)C.
What is the InChIKey of methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate?
The InChIKey is IQQGGIPPGHKNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)13(9-15-14(16)17-4)12-7-5-11(3)6-8-12/h5-8,10,13H,9H2,1-4H3,(H,15,16).
What are the key properties of methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate?
methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate has a molecular weight of 235.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate is sourced from PubChem (CID 123813154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).