tert-butyl N-(4-butoxy-2-methylphenyl)carbamate

C16H25NO3 — CID 140675962

IUPACtert-butyl N-(4-butoxy-2-methylphenyl)carbamate
SMILESCCCCOc1ccc(NC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C16H25NO3/c1-6-7-10-19-13-8-9-14(12(2)11-13)17-15(18)20-16(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyUNFFMZJVWQEMOZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.52
Rot. Bonds5

About tert-butyl N-(4-butoxy-2-methylphenyl)carbamate

tert-butyl N-(4-butoxy-2-methylphenyl)carbamate (PubChem CID 140675962) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-(4-butoxy-2-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-butoxy-2-methylphenyl)carbamate
PubChem CID140675962
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nametert-butyl N-(4-butoxy-2-methylphenyl)carbamate
SMILESCCCCOc1ccc(NC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C16H25NO3/c1-6-7-10-19-13-8-9-14(12(2)11-13)17-15(18)20-16(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyUNFFMZJVWQEMOZ-UHFFFAOYSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(4-butoxy-2-methylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
CID 15429168
4-(4-butoxy-2-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 119133688
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] methanesulfonate
CID 25147172
[5-(6-hydroxyhexoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamic acid
CID 122585555
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87043030
1-(4-hexoxy-2-methylphenyl)-3-(4-methylphenyl)sulfanylurea
CID 167203697
tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate
CID 155586465

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-butoxy-2-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-butoxy-2-methylphenyl)carbamate (CID 140675962) is tert-butyl N-(4-butoxy-2-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-butoxy-2-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-butoxy-2-methylphenyl)carbamate is CCCCOc1ccc(NC(=O)OC(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl N-(4-butoxy-2-methylphenyl)carbamate?
The InChIKey is UNFFMZJVWQEMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-7-10-19-13-8-9-14(12(2)11-13)17-15(18)20-16(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-(4-butoxy-2-methylphenyl)carbamate?
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate has a molecular weight of 279.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-butoxy-2-methylphenyl)carbamate is sourced from PubChem (CID 140675962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).