2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide

C19H22N4O3 — CID 134584705

IUPAC2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CC2CN(C(=O)Nc3ccccc3)CCO2)cc1
InChIInChI=1S/C19H22N4O3/c20-22-18(24)15-8-6-14(7-9-15)12-17-13-23(10-11-26-17)19(25)21-16-4-2-1-3-5-16/h1-9,17H,10-13,20H2,(H,21,25)(H,22,24)
InChIKeyLXOLZTKJWTWDRZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.77
Rot. Bonds4

About 2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide

2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide (PubChem CID 134584705) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
PubChem CID134584705
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CC2CN(C(=O)Nc3ccccc3)CCO2)cc1
InChIInChI=1S/C19H22N4O3/c20-22-18(24)15-8-6-14(7-9-15)12-17-13-23(10-11-26-17)19(25)21-16-4-2-1-3-5-16/h1-9,17H,10-13,20H2,(H,21,25)(H,22,24)
InChIKeyLXOLZTKJWTWDRZ-UHFFFAOYSA-N
XLogP1.77
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide
CID 174900728
(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
CID 97336828
4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide
CID 174900344
(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide
CID 164634604
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 84596460
(2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990179
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
2-carbamothioyl-N-phenylmorpholine-4-carboxamide
CID 79675023
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
The IUPAC name of 2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide (CID 134584705) is 2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for 2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for 2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide is NNC(=O)c1ccc(CC2CN(C(=O)Nc3ccccc3)CCO2)cc1.
What is the InChIKey of 2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
The InChIKey is LXOLZTKJWTWDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c20-22-18(24)15-8-6-14(7-9-15)12-17-13-23(10-11-26-17)19(25)21-16-4-2-1-3-5-16/h1-9,17H,10-13,20H2,(H,21,25)(H,22,24).
What are the key properties of 2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 134584705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).