4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide

C23H27N3O2 — CID 175213138

IUPAC4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc2cc(CNNCc3ccc(C(=O)NC(C)C)cc3)ccc2c1
InChIInChI=1S/C23H27N3O2/c1-16(2)26-23(27)19-7-4-17(5-8-19)14-24-25-15-18-6-9-21-13-22(28-3)11-10-20(21)12-18/h4-13,16,24-25H,14-15H2,1-3H3,(H,26,27)
InChIKeyXPBMBKMOXDGIFZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.78
Rot. Bonds8

About 4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide

4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide (PubChem CID 175213138) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide
PubChem CID175213138
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc2cc(CNNCc3ccc(C(=O)NC(C)C)cc3)ccc2c1
InChIInChI=1S/C23H27N3O2/c1-16(2)26-23(27)19-7-4-17(5-8-19)14-24-25-15-18-6-9-21-13-22(28-3)11-10-20(21)12-18/h4-13,16,24-25H,14-15H2,1-3H3,(H,26,27)
InChIKeyXPBMBKMOXDGIFZ-UHFFFAOYSA-N
XLogP3.78
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
4-bromo-N-[(2S)-1-[(6-methoxynaphthalen-2-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 41286103
1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052745
N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51317181
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride
CID 9703
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54837767
sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
CID 175548560
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide (CID 175213138) is 4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide is COc1ccc2cc(CNNCc3ccc(C(=O)NC(C)C)cc3)ccc2c1.
What is the InChIKey of 4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is XPBMBKMOXDGIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(2)26-23(27)19-7-4-17(5-8-19)14-24-25-15-18-6-9-21-13-22(28-3)11-10-20(21)12-18/h4-13,16,24-25H,14-15H2,1-3H3,(H,26,27).
What are the key properties of 4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide?
4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 175213138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).