(2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal

C30H30N2O4 — CID 157195375

IUPAC(2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal
SMILESCC(C=O)c1ccccc1.C[C@@H](C(=O)N(O)c1ccccc1)c1ccccc1.O=Nc1ccccc1
InChIInChI=1S/C15H15NO2.C9H10O.C6H5NO/c1-12(13-8-4-2-5-9-13)15(17)16(18)14-10-6-3-7-11-14;1-8(7-10)9-5-3-2-4-6-9;8-7-6-4-2-1-3-5-6/h2-12,18H,1H3;2-8H,1H3;1-5H/t12-;;/m1../s1
InChIKeyAQELBCBKMPAVAZ-CURYUGHLSA-N
MW482.58 g/mol
LogP7.29
Rot. Bonds6

About (2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal

(2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal (PubChem CID 157195375) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is (2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal.

Molecular Properties

Compound Name(2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal
PubChem CID157195375
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name(2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal
SMILESCC(C=O)c1ccccc1.C[C@@H](C(=O)N(O)c1ccccc1)c1ccccc1.O=Nc1ccccc1
InChIInChI=1S/C15H15NO2.C9H10O.C6H5NO/c1-12(13-8-4-2-5-9-13)15(17)16(18)14-10-6-3-7-11-14;1-8(7-10)9-5-3-2-4-6-9;8-7-6-4-2-1-3-5-6/h2-12,18H,1H3;2-8H,1H3;1-5H/t12-;;/m1../s1
InChIKeyAQELBCBKMPAVAZ-CURYUGHLSA-N
XLogP7.29
TPSA87.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-N,2,2-triphenylacetamide
CID 23854752
(2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide
CID 87844242
2-chloro-N-hydroxy-N-phenylpropanamide
CID 57100198
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
1,1-dimethoxyethane;2-phenylpropanal
CID 87274023
(2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide
CID 124640134
2-phenylpropylideneurea
CID 57051679
methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628
2-[methyl-[(2S)-2-phenylpropanoyl]amino]propanoic acid
CID 120686581
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal?
The IUPAC name of (2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal (CID 157195375) is (2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal.
What is the SMILES notation for (2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal?
The canonical SMILES for (2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal is CC(C=O)c1ccccc1.C[C@@H](C(=O)N(O)c1ccccc1)c1ccccc1.O=Nc1ccccc1.
What is the InChIKey of (2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal?
The InChIKey is AQELBCBKMPAVAZ-CURYUGHLSA-N. The full InChI is InChI=1S/C15H15NO2.C9H10O.C6H5NO/c1-12(13-8-4-2-5-9-13)15(17)16(18)14-10-6-3-7-11-14;1-8(7-10)9-5-3-2-4-6-9;8-7-6-4-2-1-3-5-6/h2-12,18H,1H3;2-8H,1H3;1-5H/t12-;;/m1../s1.
What are the key properties of (2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal?
(2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal has a molecular weight of 482.58 g/mol, XLogP of 7.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal is sourced from PubChem (CID 157195375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).