2-methylpropyl N-[3-(methylamino)phenyl]carbamate

C12H18N2O2 — CID 71219513

IUPAC2-methylpropyl N-[3-(methylamino)phenyl]carbamate
SMILESCNc1cccc(NC(=O)OCC(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)8-16-12(15)14-11-6-4-5-10(7-11)13-3/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyURAGBKBGVJTNKL-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.93
Rot. Bonds4

About 2-methylpropyl N-[3-(methylamino)phenyl]carbamate

2-methylpropyl N-[3-(methylamino)phenyl]carbamate (PubChem CID 71219513) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methylpropyl N-[3-(methylamino)phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-(methylamino)phenyl]carbamate
PubChem CID71219513
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-methylpropyl N-[3-(methylamino)phenyl]carbamate
SMILESCNc1cccc(NC(=O)OCC(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)8-16-12(15)14-11-6-4-5-10(7-11)13-3/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyURAGBKBGVJTNKL-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15908281
2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate
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2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate
CID 60586572
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate
CID 56552310
2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
CID 64786534
[3-(methylamino)phenyl]urea
CID 23558981
2-methylpropyl N-[3-[[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]amino]phenyl]carbamate
CID 167783612
2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 79346235
2-methylpropyl N-[3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-(methylamino)phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-(methylamino)phenyl]carbamate (CID 71219513) is 2-methylpropyl N-[3-(methylamino)phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-(methylamino)phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-(methylamino)phenyl]carbamate is CNc1cccc(NC(=O)OCC(C)C)c1.
What is the InChIKey of 2-methylpropyl N-[3-(methylamino)phenyl]carbamate?
The InChIKey is URAGBKBGVJTNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)8-16-12(15)14-11-6-4-5-10(7-11)13-3/h4-7,9,13H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-methylpropyl N-[3-(methylamino)phenyl]carbamate?
2-methylpropyl N-[3-(methylamino)phenyl]carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-(methylamino)phenyl]carbamate is sourced from PubChem (CID 71219513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).