N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide

C27H22N2O3 — CID 4933147

IUPACN'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide
SMILESO=C(C=Cc1cccc2ccccc12)NNC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H22N2O3/c30-26(18-15-22-11-6-10-21-9-4-5-12-25(21)22)28-29-27(31)23-13-16-24(17-14-23)32-19-20-7-2-1-3-8-20/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeyKFKMTCSDMIUSSE-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.89
Rot. Bonds6

About N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide

N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide (PubChem CID 4933147) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide
PubChem CID4933147
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC NameN'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide
SMILESO=C(C=Cc1cccc2ccccc12)NNC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H22N2O3/c30-26(18-15-22-11-6-10-21-9-4-5-12-25(21)22)28-29-27(31)23-13-16-24(17-14-23)32-19-20-7-2-1-3-8-20/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeyKFKMTCSDMIUSSE-UHFFFAOYSA-N
XLogP4.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenylmethoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6234109
4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
CID 4927927
(E)-4-oxo-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid
CID 6234104
4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 22831284
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
methyl 3-(6-phenylmethoxynaphthalen-1-yl)prop-2-enoate
CID 91160431
ethyl 4-[2-[2-[(E)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233974
(E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6234474
N-benzyl-4-[2-[(Z)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 92962067
propyl 4-[2-[2-[(E)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233056
N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide
CID 5191128
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480

Frequently Asked Questions

What is the IUPAC name of N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide?
The IUPAC name of N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide (CID 4933147) is N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide.
What is the SMILES notation for N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide?
The canonical SMILES for N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide is O=C(C=Cc1cccc2ccccc12)NNC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide?
The InChIKey is KFKMTCSDMIUSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c30-26(18-15-22-11-6-10-21-9-4-5-12-25(21)22)28-29-27(31)23-13-16-24(17-14-23)32-19-20-7-2-1-3-8-20/h1-18H,19H2,(H,28,30)(H,29,31).
What are the key properties of N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide?
N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide has a molecular weight of 422.48 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide is sourced from PubChem (CID 4933147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).