benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate

C18H19N3O3 — CID 110666721

IUPACbenzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCCNC2=O)cc1)OCc1ccccc1
InChIInChI=1S/C18H19N3O3/c22-17-19-11-4-12-21(17)16-9-7-15(8-10-16)20-18(23)24-13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,19,22)(H,20,23)
InChIKeyLDIMQEWUURMSGZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.36
Rot. Bonds4

About benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate

benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate (PubChem CID 110666721) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate
PubChem CID110666721
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namebenzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCCNC2=O)cc1)OCc1ccccc1
InChIInChI=1S/C18H19N3O3/c22-17-19-11-4-12-21(17)16-9-7-15(8-10-16)20-18(23)24-13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,19,22)(H,20,23)
InChIKeyLDIMQEWUURMSGZ-UHFFFAOYSA-N
XLogP3.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one
CID 140519579
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide
CID 110666646
benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
CID 7627537
benzyl N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]carbamate
CID 42868694
2-(2-methoxyphenyl)-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666745
benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate
CID 112502827
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 68524434
benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate
CID 122584873
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate (CID 110666721) is benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate is O=C(Nc1ccc(N2CCCNC2=O)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate?
The InChIKey is LDIMQEWUURMSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17-19-11-4-12-21(17)16-9-7-15(8-10-16)20-18(23)24-13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,19,22)(H,20,23).
What are the key properties of benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate?
benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate has a molecular weight of 325.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate is sourced from PubChem (CID 110666721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).