phenyl N-(2-aminobutyl)carbamate

C11H16N2O2 — CID 63732215

IUPACphenyl N-(2-aminobutyl)carbamate
SMILESCCC(N)CNC(=O)Oc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-9(12)8-13-11(14)15-10-6-4-3-5-7-10/h3-7,9H,2,8,12H2,1H3,(H,13,14)
InChIKeyJBPYBWKISLGCOT-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.51
Rot. Bonds4

About phenyl N-(2-aminobutyl)carbamate

phenyl N-(2-aminobutyl)carbamate (PubChem CID 63732215) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is phenyl N-(2-aminobutyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-aminobutyl)carbamate
PubChem CID63732215
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namephenyl N-(2-aminobutyl)carbamate
SMILESCCC(N)CNC(=O)Oc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-9(12)8-13-11(14)15-10-6-4-3-5-7-10/h3-7,9H,2,8,12H2,1H3,(H,13,14)
InChIKeyJBPYBWKISLGCOT-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908400
phenyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116281
2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
CID 66167293
phenyl N-(2-methylsulfanylpropyl)carbamate
CID 115759417
phenyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 113258696
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148
phenyl N-(2-oxopropyl)carbamate
CID 18713777
phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
phenyl N-(2-cyclopropylpropyl)carbamate
CID 115591281
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
CID 61124407
phenyl N-(3-amino-3-ethylpentyl)carbamate
CID 174465243

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-aminobutyl)carbamate?
The IUPAC name of phenyl N-(2-aminobutyl)carbamate (CID 63732215) is phenyl N-(2-aminobutyl)carbamate.
What is the SMILES notation for phenyl N-(2-aminobutyl)carbamate?
The canonical SMILES for phenyl N-(2-aminobutyl)carbamate is CCC(N)CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-aminobutyl)carbamate?
The InChIKey is JBPYBWKISLGCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-9(12)8-13-11(14)15-10-6-4-3-5-7-10/h3-7,9H,2,8,12H2,1H3,(H,13,14).
What are the key properties of phenyl N-(2-aminobutyl)carbamate?
phenyl N-(2-aminobutyl)carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-aminobutyl)carbamate is sourced from PubChem (CID 63732215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).