benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate

C18H18N4O6 — CID 4913816

IUPACbenzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESO=C(NC(CO)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)OCc1ccccc1
InChIInChI=1S/C18H18N4O6/c23-11-16(20-18(25)28-12-14-4-2-1-3-5-14)17(24)21-19-10-13-6-8-15(9-7-13)22(26)27/h1-10,16,23H,11-12H2,(H,20,25)(H,21,24)
InChIKeyGMPWKYQGZHOMBM-UHFFFAOYSA-N
MW386.36 g/mol
LogP1.33
Rot. Bonds8

About benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate

benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate (PubChem CID 4913816) has the molecular formula C18H18N4O6 and a molecular weight of 386.36 g/mol. Its IUPAC name is benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate
PubChem CID4913816
Molecular FormulaC18H18N4O6
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Namebenzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESO=C(NC(CO)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)OCc1ccccc1
InChIInChI=1S/C18H18N4O6/c23-11-16(20-18(25)28-12-14-4-2-1-3-5-14)17(24)21-19-10-13-6-8-15(9-7-13)22(26)27/h1-10,16,23H,11-12H2,(H,20,25)(H,21,24)
InChIKeyGMPWKYQGZHOMBM-UHFFFAOYSA-N
XLogP1.33
TPSA143.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-nitrophenyl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 51905805
benzyl N-[4-methyl-1-[(2E)-2-[(3-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopentan-2-yl]carbamate
CID 71592928
(4-nitrophenyl) 2-(phenylmethoxycarbonylamino)butanoate
CID 70581994
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
benzyl N-[(2S)-1-[(2Z)-2-benzylidenehydrazinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 126000546
benzyl N-[(2R)-1-[(2Z)-2-benzylidenehydrazinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 126000547
benzyl N-[(2S)-1-[[(2S)-1-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 137120713
benzyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamate
CID 126011117
2-methylpropyl N-[(2R)-3-(1H-indol-3-yl)-1-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 40586800
benzyl N-[1-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 74765224
benzyl N-(4-nitroanilino)carbamate
CID 101274161
benzyl N-[(2R,3R)-1-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 8022971

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate (CID 4913816) is benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate is O=C(NC(CO)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate?
The InChIKey is GMPWKYQGZHOMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O6/c23-11-16(20-18(25)28-12-14-4-2-1-3-5-14)17(24)21-19-10-13-6-8-15(9-7-13)22(26)27/h1-10,16,23H,11-12H2,(H,20,25)(H,21,24).
What are the key properties of benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate?
benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate has a molecular weight of 386.36 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-hydroxy-1-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 4913816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).