(3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate

C12H17NO3 — CID 5027715

IUPAC(3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate
SMILESCCC(CO)NC(=O)Oc1cccc(C)c1
InChIInChI=1S/C12H17NO3/c1-3-10(8-14)13-12(15)16-11-6-4-5-9(2)7-11/h4-7,10,14H,3,8H2,1-2H3,(H,13,15)
InChIKeyUXQZHZFKYRNDTH-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.85
Rot. Bonds4

About (3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate

(3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate (PubChem CID 5027715) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate.

Molecular Properties

Compound Name(3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate
PubChem CID5027715
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate
SMILESCCC(CO)NC(=O)Oc1cccc(C)c1
InChIInChI=1S/C12H17NO3/c1-3-10(8-14)13-12(15)16-11-6-4-5-9(2)7-11/h4-7,10,14H,3,8H2,1-2H3,(H,13,15)
InChIKeyUXQZHZFKYRNDTH-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate?
The IUPAC name of (3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate (CID 5027715) is (3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate.
What is the SMILES notation for (3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate?
The canonical SMILES for (3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate is CCC(CO)NC(=O)Oc1cccc(C)c1.
What is the InChIKey of (3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate?
The InChIKey is UXQZHZFKYRNDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-10(8-14)13-12(15)16-11-6-4-5-9(2)7-11/h4-7,10,14H,3,8H2,1-2H3,(H,13,15).
What are the key properties of (3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate?
(3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) N-(1-hydroxybutan-2-yl)carbamate is sourced from PubChem (CID 5027715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).