benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate

C18H20N2O3 — CID 100931141

IUPACbenzyl N-[3-(benzylamino)-3-oxopropyl]carbamate
SMILESO=C(CCNC(=O)OCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H20N2O3/c21-17(20-13-15-7-3-1-4-8-15)11-12-19-18(22)23-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,22)(H,20,21)
InChIKeyKUTQUINXOBZROA-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.62
Rot. Bonds7

About benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate

benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate (PubChem CID 100931141) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(benzylamino)-3-oxopropyl]carbamate
PubChem CID100931141
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namebenzyl N-[3-(benzylamino)-3-oxopropyl]carbamate
SMILESO=C(CCNC(=O)OCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H20N2O3/c21-17(20-13-15-7-3-1-4-8-15)11-12-19-18(22)23-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,22)(H,20,21)
InChIKeyKUTQUINXOBZROA-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(S)-benzyl 1-(benzylamino)-8-(hydroxyamino)-1,8-dioxooctan-2-ylcarbamate
CID 11201165
benzyl N-[cyano(phenyl)methyl]carbamate
CID 3745043
Benzyl benzylcarbamate
CID 4935691
N-Carbobenzoxy-1,6-diaminohexane Hydrochloride
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4-Cbz-aminopiperidine
CID 1514304
Benzyl 4-[(2-cyclohexylidene-2-fluoroethyl)amino]-1-piperidinecarboxylate
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benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate
CID 4877695

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate?
The IUPAC name of benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate (CID 100931141) is benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate?
The canonical SMILES for benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate is O=C(CCNC(=O)OCc1ccccc1)NCc1ccccc1.
What is the InChIKey of benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate?
The InChIKey is KUTQUINXOBZROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(20-13-15-7-3-1-4-8-15)11-12-19-18(22)23-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,22)(H,20,21).
What are the key properties of benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate?
benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(benzylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 100931141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).