N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide

C19H23N3O — CID 690335

IUPACN-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)NN=C1CCCCCC1
InChIInChI=1S/C19H23N3O/c23-19(22-21-16-10-3-1-2-4-11-16)14-20-18-13-7-9-15-8-5-6-12-17(15)18/h5-9,12-13,20H,1-4,10-11,14H2,(H,22,23)
InChIKeyMDSFNBFOPHLJSU-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.08
Rot. Bonds4

About N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide

N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide (PubChem CID 690335) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide
PubChem CID690335
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)NN=C1CCCCCC1
InChIInChI=1S/C19H23N3O/c23-19(22-21-16-10-3-1-2-4-11-16)14-20-18-13-7-9-15-8-5-6-12-17(15)18/h5-9,12-13,20H,1-4,10-11,14H2,(H,22,23)
InChIKeyMDSFNBFOPHLJSU-UHFFFAOYSA-N
XLogP4.08
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.08
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

N-(cyclopentylideneamino)-2-(2-methoxyanilino)acetamide
CID 968177
N-(cyclopentylideneamino)-2-naphthalen-1-ylacetamide
CID 905432
N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 54786974
2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone
CID 28568569
N-cyclopropyl-2-(naphthalen-1-ylamino)acetamide
CID 26506369
2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6322259
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5099377
2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 5427861
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
N-(cyclooctylideneamino)-2-naphthalen-2-yloxyacetamide
CID 4674505
2-[[5-(2-cyclohexylidenehydrazinyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 4772504

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide (CID 690335) is N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide is O=C(CNc1cccc2ccccc12)NN=C1CCCCCC1.
What is the InChIKey of N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is MDSFNBFOPHLJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(22-21-16-10-3-1-2-4-11-16)14-20-18-13-7-9-15-8-5-6-12-17(15)18/h5-9,12-13,20H,1-4,10-11,14H2,(H,22,23).
What are the key properties of N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide?
N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 309.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 690335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).