benzyl N-[2-(butanoylamino)ethyl]carbamate

C14H20N2O3 — CID 130774623

IUPACbenzyl N-[2-(butanoylamino)ethyl]carbamate
SMILESCCCC(=O)NCCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-6-13(17)15-9-10-16-14(18)19-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyICHFMKCWBOHCHN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds7

About benzyl N-[2-(butanoylamino)ethyl]carbamate

benzyl N-[2-(butanoylamino)ethyl]carbamate (PubChem CID 130774623) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl N-[2-(butanoylamino)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(butanoylamino)ethyl]carbamate
PubChem CID130774623
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl N-[2-(butanoylamino)ethyl]carbamate
SMILESCCCC(=O)NCCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-6-13(17)15-9-10-16-14(18)19-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyICHFMKCWBOHCHN-UHFFFAOYSA-N
XLogP1.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[5-(phenylmethoxycarbonylamino)pentylamino]butanoic acid
CID 129041037
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
benzyl N-(3-deuteriopropyl)carbamate
CID 173247351
S-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyl] ethanethioate
CID 13336145
benzyl N-(8-oxopentadecyl)carbamate
CID 123440218
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
diethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]propanedioate
CID 10903835
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
butyl 4-(phenylmethoxycarbonylamino)butanoate
CID 102295168

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(butanoylamino)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(butanoylamino)ethyl]carbamate (CID 130774623) is benzyl N-[2-(butanoylamino)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(butanoylamino)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(butanoylamino)ethyl]carbamate is CCCC(=O)NCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(butanoylamino)ethyl]carbamate?
The InChIKey is ICHFMKCWBOHCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-6-13(17)15-9-10-16-14(18)19-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,17)(H,16,18).
What are the key properties of benzyl N-[2-(butanoylamino)ethyl]carbamate?
benzyl N-[2-(butanoylamino)ethyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(butanoylamino)ethyl]carbamate is sourced from PubChem (CID 130774623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).