N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide

C19H23N3O2 — CID 171979194

IUPACN-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide
SMILESCCCCC(=O)N/N=C(/C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H23N3O2/c1-3-4-12-18(23)22-21-14(2)13-19(24)20-17-11-7-9-15-8-5-6-10-16(15)17/h5-11H,3-4,12-13H2,1-2H3,(H,20,24)(H,22,23)/b21-14-
InChIKeySJSJNWAPODPGOO-STZFKDTASA-N
MW325.41 g/mol
LogP3.85
Rot. Bonds7

About N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide

N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide (PubChem CID 171979194) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide.

Molecular Properties

Compound NameN-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide
PubChem CID171979194
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide
SMILESCCCCC(=O)N/N=C(/C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H23N3O2/c1-3-4-12-18(23)22-21-14(2)13-19(24)20-17-11-7-9-15-8-5-6-10-16(15)17/h5-11H,3-4,12-13H2,1-2H3,(H,20,24)(H,22,23)/b21-14-
InChIKeySJSJNWAPODPGOO-STZFKDTASA-N
XLogP3.85
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.85
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-naphthalen-1-yldodecanamide
CID 588517
N-[(4-anilino-4-oxobutan-2-ylidene)amino]dodecanamide
CID 4549541
N-(hexan-2-ylideneamino)-2-naphthalen-1-ylacetamide
CID 4066378
2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide
CID 5343180
N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide
CID 4609647
N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 3923948
N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6029887
N'-[(E)-[4-(3,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-N-naphthalen-1-yloxamide
CID 98157842
N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646
N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6104390
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-benzo[h]quinolin-4-ylpentanamide
CID 46307999

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide?
The IUPAC name of N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide (CID 171979194) is N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide.
What is the SMILES notation for N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide?
The canonical SMILES for N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide is CCCCC(=O)N/N=C(/C)CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide?
The InChIKey is SJSJNWAPODPGOO-STZFKDTASA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-4-12-18(23)22-21-14(2)13-19(24)20-17-11-7-9-15-8-5-6-10-16(15)17/h5-11H,3-4,12-13H2,1-2H3,(H,20,24)(H,22,23)/b21-14-.
What are the key properties of N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide?
N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide has a molecular weight of 325.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide is sourced from PubChem (CID 171979194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).