benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate

C15H22N2O4 — CID 87061313

IUPACbenzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate
SMILESCCCCN(O)C(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-2-3-11-17(20)14(18)9-10-16-15(19)21-12-13-7-5-4-6-8-13/h4-8,20H,2-3,9-12H2,1H3,(H,16,19)
InChIKeyXUINEKPILIQXQM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.32
Rot. Bonds8

About benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate

benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate (PubChem CID 87061313) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate
PubChem CID87061313
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namebenzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate
SMILESCCCCN(O)C(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-2-3-11-17(20)14(18)9-10-16-15(19)21-12-13-7-5-4-6-8-13/h4-8,20H,2-3,9-12H2,1H3,(H,16,19)
InChIKeyXUINEKPILIQXQM-UHFFFAOYSA-N
XLogP2.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(8-oxopentadecyl)carbamate
CID 123440218
benzyl N-[3-(diethylamino)propyl]carbamate
CID 127503567
butyl 4-(phenylmethoxycarbonylamino)butanoate
CID 102295168
benzyl N-[2-(butanoylamino)ethyl]carbamate
CID 130774623
ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate
CID 15195445
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
diethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]propanedioate
CID 10903835
benzyl N-[5-[[4-[5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-phenylmethoxyamino]pentyl]carbamate
CID 118391839
benzyl N-[3-(2-methylphenyl)-3-oxopropyl]carbamate
CID 90322009
benzyl N-(3-deuteriopropyl)carbamate
CID 173247351

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate?
The IUPAC name of benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate (CID 87061313) is benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate?
The canonical SMILES for benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate is CCCCN(O)C(=O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate?
The InChIKey is XUINEKPILIQXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-3-11-17(20)14(18)9-10-16-15(19)21-12-13-7-5-4-6-8-13/h4-8,20H,2-3,9-12H2,1H3,(H,16,19).
What are the key properties of benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate?
benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 87061313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).