benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate

C14H20N2O3 — CID 130114802

IUPACbenzyl N-(1,4-oxazepan-6-ylmethyl)carbamate
SMILESO=C(NCC1CNCCOC1)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c17-14(19-11-12-4-2-1-3-5-12)16-9-13-8-15-6-7-18-10-13/h1-5,13,15H,6-11H2,(H,16,17)
InChIKeyPVMSCJAPLDSUOA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.15
Rot. Bonds4

About benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate

benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate (PubChem CID 130114802) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1,4-oxazepan-6-ylmethyl)carbamate
PubChem CID130114802
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl N-(1,4-oxazepan-6-ylmethyl)carbamate
SMILESO=C(NCC1CNCCOC1)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c17-14(19-11-12-4-2-1-3-5-12)16-9-13-8-15-6-7-18-10-13/h1-5,13,15H,6-11H2,(H,16,17)
InChIKeyPVMSCJAPLDSUOA-UHFFFAOYSA-N
XLogP1.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride
CID 137346986
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
CID 118798557
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
CID 124671693
1-[(2-methylphenyl)methyl]-3-(1,4-oxazepan-6-ylmethyl)urea
CID 56917216
benzyl N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]carbamate;hydrochloride
CID 168885230
benzyl N-[[(3S,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634254
1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea
CID 95715396

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate?
The IUPAC name of benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate (CID 130114802) is benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate.
What is the SMILES notation for benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate?
The canonical SMILES for benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate is O=C(NCC1CNCCOC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate?
The InChIKey is PVMSCJAPLDSUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-14(19-11-12-4-2-1-3-5-12)16-9-13-8-15-6-7-18-10-13/h1-5,13,15H,6-11H2,(H,16,17).
What are the key properties of benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate?
benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate is sourced from PubChem (CID 130114802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).