benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate

C16H22N2O4 — CID 655785

IUPACbenzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C16H22N2O4/c1-12(15(19)17-10-14-8-5-9-21-14)18-16(20)22-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyHNGLZPGVDVLMPF-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.60
Rot. Bonds6

About benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate

benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate (PubChem CID 655785) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate
PubChem CID655785
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namebenzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C16H22N2O4/c1-12(15(19)17-10-14-8-5-9-21-14)18-16(20)22-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyHNGLZPGVDVLMPF-UHFFFAOYSA-N
XLogP1.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate (CID 655785) is benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate is CC(NC(=O)OCc1ccccc1)C(=O)NCC1CCCO1.
What is the InChIKey of benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate?
The InChIKey is HNGLZPGVDVLMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(15(19)17-10-14-8-5-9-21-14)18-16(20)22-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate?
benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate has a molecular weight of 306.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 655785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).