N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide

C23H23N3O2 — CID 122529662

IUPACN-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)=NNC(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O2/c1-16(2)25-26-23(28)21(14-17-8-4-3-5-9-17)24-22(27)20-13-12-18-10-6-7-11-19(18)15-20/h3-13,15,21H,14H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyRGQZRJBVBZDACS-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.69
Rot. Bonds6

About N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide

N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide (PubChem CID 122529662) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide
PubChem CID122529662
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)=NNC(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O2/c1-16(2)25-26-23(28)21(14-17-8-4-3-5-9-17)24-22(27)20-13-12-18-10-6-7-11-19(18)15-20/h3-13,15,21H,14H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyRGQZRJBVBZDACS-UHFFFAOYSA-N
XLogP3.69
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
CID 46884012
N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide
CID 134943953
(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid
CID 71136157
3-N,5-N-bis[(2S)-1-oxo-3-phenyl-1-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]propan-2-yl]pyridine-3,5-dicarboxamide
CID 177459304
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
CID 2282453
N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide
CID 161200705
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
2-[[6-[(3,5-dimethylphenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677437
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
methyl 3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoate;3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 160873206

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide (CID 122529662) is N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide is CC(C)=NNC(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide?
The InChIKey is RGQZRJBVBZDACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16(2)25-26-23(28)21(14-17-8-4-3-5-9-17)24-22(27)20-13-12-18-10-6-7-11-19(18)15-20/h3-13,15,21H,14H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide?
N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 122529662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).