2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide

C20H25N3O2 — CID 126388807

IUPAC2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)CNC1CCCCC1
InChIInChI=1S/C20H25N3O2/c1-25-19-12-11-15-7-5-6-10-17(15)18(19)13-22-23-20(24)14-21-16-8-3-2-4-9-16/h5-7,10-13,16,21H,2-4,8-9,14H2,1H3,(H,23,24)/b22-13-
InChIKeyBOWGBEAFJNNMQC-XKZIYDEJSA-N
MW339.44 g/mol
LogP3.22
Rot. Bonds6

About 2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide

2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 126388807) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID126388807
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)CNC1CCCCC1
InChIInChI=1S/C20H25N3O2/c1-25-19-12-11-15-7-5-6-10-17(15)18(19)13-22-23-20(24)14-21-16-8-3-2-4-9-16/h5-7,10-13,16,21H,2-4,8-9,14H2,1H3,(H,23,24)/b22-13-
InChIKeyBOWGBEAFJNNMQC-XKZIYDEJSA-N
XLogP3.22
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide
CID 126381618
N-[2-[(2E)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6881851
ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
CID 6898993
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 2265655
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208685
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 75124053
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6321510
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 135733837
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208862
2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 6183485
2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
[1-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 3845692

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide (CID 126388807) is 2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide is COc1ccc2ccccc2c1/C=N\NC(=O)CNC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is BOWGBEAFJNNMQC-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-12-11-15-7-5-6-10-17(15)18(19)13-22-23-20(24)14-21-16-8-3-2-4-9-16/h5-7,10-13,16,21H,2-4,8-9,14H2,1H3,(H,23,24)/b22-13-.
What are the key properties of 2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 126388807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).