phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate

C22H21N3O3 — CID 126006109

IUPACphenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)Oc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N3O3/c1-17(23-22(27)28-20-15-9-4-10-16-20)21(26)24-25(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17H,1H3,(H,23,27)(H,24,26)/t17-/m0/s1
InChIKeyDAWMTZHOWBWOJP-KRWDZBQOSA-N
MW375.43 g/mol
LogP4.03
Rot. Bonds6

About phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate

phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate (PubChem CID 126006109) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate
PubChem CID126006109
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namephenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)Oc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N3O3/c1-17(23-22(27)28-20-15-9-4-10-16-20)21(26)24-25(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17H,1H3,(H,23,27)(H,24,26)/t17-/m0/s1
InChIKeyDAWMTZHOWBWOJP-KRWDZBQOSA-N
XLogP4.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate
CID 126005193
phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
CID 113408177
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
phenyl N-[(2S)-1-(2-bromo-4,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 126004298
(2R)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
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phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
CID 115596760
phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate
CID 126009593
phenyl N-pent-4-en-2-ylcarbamate
CID 115631343
phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 18972767
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
CID 61068601
phenyl 2-(hydroxyamino)propanoate
CID 88707618
phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908400

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate (CID 126006109) is phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)Oc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is DAWMTZHOWBWOJP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-17(23-22(27)28-20-15-9-4-10-16-20)21(26)24-25(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17H,1H3,(H,23,27)(H,24,26)/t17-/m0/s1.
What are the key properties of phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate?
phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 375.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 126006109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).