phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

C17H18N2O4 — CID 23940970

IUPACphenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESO=C(NC(CO)C(=O)NCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H18N2O4/c20-12-15(16(21)18-11-13-7-3-1-4-8-13)19-17(22)23-14-9-5-2-6-10-14/h1-10,15,20H,11-12H2,(H,18,21)(H,19,22)
InChIKeyPVWOUPNSGWQRLZ-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.45
Rot. Bonds6

About phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate (PubChem CID 23940970) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
PubChem CID23940970
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namephenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESO=C(NC(CO)C(=O)NCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H18N2O4/c20-12-15(16(21)18-11-13-7-3-1-4-8-13)19-17(22)23-14-9-5-2-6-10-14/h1-10,15,20H,11-12H2,(H,18,21)(H,19,22)
InChIKeyPVWOUPNSGWQRLZ-UHFFFAOYSA-N
XLogP1.45
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 171980527
ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 53344986
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
CID 43407067
(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
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(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724767
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 6723092
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
3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide
CID 4990311
benzyl N-[(2R)-1-(benzylamino)-1-oxo-3-sulfanylpropan-2-yl]carbamate
CID 54125429

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate (CID 23940970) is phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate is O=C(NC(CO)C(=O)NCc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The InChIKey is PVWOUPNSGWQRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-12-15(16(21)18-11-13-7-3-1-4-8-13)19-17(22)23-14-9-5-2-6-10-14/h1-10,15,20H,11-12H2,(H,18,21)(H,19,22).
What are the key properties of phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate has a molecular weight of 314.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 23940970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).