benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate

C21H24N2O4 — CID 142383171

IUPACbenzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate
SMILESO=C(NC(C(=O)NCc1ccccc1)C1CCCO1)OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c24-20(22-14-16-8-3-1-4-9-16)19(18-12-7-13-26-18)23-21(25)27-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,22,24)(H,23,25)
InChIKeyHQWGQLUBYGUEIR-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.78
Rot. Bonds7

About benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate

benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate (PubChem CID 142383171) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate
PubChem CID142383171
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namebenzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate
SMILESO=C(NC(C(=O)NCc1ccccc1)C1CCCO1)OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c24-20(22-14-16-8-3-1-4-9-16)19(18-12-7-13-26-18)23-21(25)27-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,22,24)(H,23,25)
InChIKeyHQWGQLUBYGUEIR-UHFFFAOYSA-N
XLogP2.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941294
benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate
CID 169233060
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 24854322
benzyl N-[(2R)-1-hydroxy-3-(oxolan-2-yl)propan-2-yl]carbamate
CID 169233311
(2R)-4-(benzylamino)-4-oxo-2-[(2R)-oxolan-2-yl]butanoic acid
CID 670915
benzyl N-[(2R)-1-(benzylamino)-1-oxo-3-sulfanylpropan-2-yl]carbamate
CID 54125429
benzyl N-[1-(1,3-dioxan-2-yl)-3-hydroxypropan-2-yl]carbamate
CID 21242026
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309313
benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate
CID 169233030
benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate
CID 170255846

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate (CID 142383171) is benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate is O=C(NC(C(=O)NCc1ccccc1)C1CCCO1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate?
The InChIKey is HQWGQLUBYGUEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(22-14-16-8-3-1-4-9-16)19(18-12-7-13-26-18)23-21(25)27-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,22,24)(H,23,25).
What are the key properties of benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate?
benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate has a molecular weight of 368.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate is sourced from PubChem (CID 142383171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).