phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate

C15H23NO2 — CID 102908400

IUPACphenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
SMILESCC(C)C(CNC(=O)Oc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)14(12(3)4)10-16-15(17)18-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,16,17)
InChIKeyKGTBGZUZCJMXQO-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.70
Rot. Bonds5

About phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate

phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate (PubChem CID 102908400) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
PubChem CID102908400
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namephenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
SMILESCC(C)C(CNC(=O)Oc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)14(12(3)4)10-16-15(17)18-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,16,17)
InChIKeyKGTBGZUZCJMXQO-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115759417
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2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
CID 66167293
phenyl N-(2-aminobutyl)carbamate
CID 63732215
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
CID 102914465
phenyl N-(2-oxopropyl)carbamate
CID 18713777
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
(2R)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 14186251
1,1-dimethoxyethane;phenyl N-(2-oxoethyl)carbamate
CID 87640415

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate?
The IUPAC name of phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate (CID 102908400) is phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate.
What is the SMILES notation for phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate?
The canonical SMILES for phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate is CC(C)C(CNC(=O)Oc1ccccc1)C(C)C.
What is the InChIKey of phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate?
The InChIKey is KGTBGZUZCJMXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)14(12(3)4)10-16-15(17)18-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,16,17).
What are the key properties of phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate?
phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate is sourced from PubChem (CID 102908400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).