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

C12H16N2O4 — CID 171980527

IUPACphenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCCNC(=O)C(CO)NC(=O)Oc1ccccc1
InChIInChI=1S/C12H16N2O4/c1-2-13-11(16)10(8-15)14-12(17)18-9-6-4-3-5-7-9/h3-7,10,15H,2,8H2,1H3,(H,13,16)(H,14,17)
InChIKeyGHWHWGFZSXPDSY-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.27
Rot. Bonds5

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

phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate (PubChem CID 171980527) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
PubChem CID171980527
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namephenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCCNC(=O)C(CO)NC(=O)Oc1ccccc1
InChIInChI=1S/C12H16N2O4/c1-2-13-11(16)10(8-15)14-12(17)18-9-6-4-3-5-7-9/h3-7,10,15H,2,8H2,1H3,(H,13,16)(H,14,17)
InChIKeyGHWHWGFZSXPDSY-UHFFFAOYSA-N
XLogP0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 23940970
methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
CID 43407067
(2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 176911525
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
CID 61124407
ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 53344986
phenyl N-[(2S)-1-[[(2R)-1-[[3-[[(2S)-2-[[(2R)-2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 58971893
phenyl N-[(2S)-4-amino-1-[[(2R)-butan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 41329856
phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 126010648
(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid
CID 57295960
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909
N-ethyl-2-phenoxypropanamide
CID 4282518

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate (CID 171980527) is phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate is CCNC(=O)C(CO)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The InChIKey is GHWHWGFZSXPDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-13-11(16)10(8-15)14-12(17)18-9-6-4-3-5-7-9/h3-7,10,15H,2,8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate has a molecular weight of 252.27 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 171980527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).