N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide

C21H20N2O2 — CID 4939949

IUPACN-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCc1ccc(C=NNC(=O)C(C)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O2/c1-15-7-9-17(10-8-15)14-22-23-21(24)16(2)25-20-12-11-18-5-3-4-6-19(18)13-20/h3-14,16H,1-2H3,(H,23,24)
InChIKeyKPZANCWQIWNKHV-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.07
Rot. Bonds5

About N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide

N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide (PubChem CID 4939949) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
PubChem CID4939949
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCc1ccc(C=NNC(=O)C(C)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O2/c1-15-7-9-17(10-8-15)14-22-23-21(24)16(2)25-20-12-11-18-5-3-4-6-19(18)13-20/h3-14,16H,1-2H3,(H,23,24)
InChIKeyKPZANCWQIWNKHV-UHFFFAOYSA-N
XLogP4.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
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

N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293
2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7167427
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 6167380
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4634005
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390587
N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939947
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide (CID 4939949) is N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide is Cc1ccc(C=NNC(=O)C(C)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The InChIKey is KPZANCWQIWNKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-7-9-17(10-8-15)14-22-23-21(24)16(2)25-20-12-11-18-5-3-4-6-19(18)13-20/h3-14,16H,1-2H3,(H,23,24).
What are the key properties of N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide has a molecular weight of 332.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 4939949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).