N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide

C15H21ClN2O — CID 6029977

IUPACN-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C(\CC)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-3-5-6-7-15(19)18-17-14(4-2)12-8-10-13(16)11-9-12/h8-11H,3-7H2,1-2H3,(H,18,19)/b17-14+
InChIKeyPVSQKTWPYSAJSC-SAPNQHFASA-N
MW280.80 g/mol
LogP4.15
Rot. Bonds7

About N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide

N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide (PubChem CID 6029977) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
PubChem CID6029977
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C(\CC)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-3-5-6-7-15(19)18-17-14(4-2)12-8-10-13(16)11-9-12/h8-11H,3-7H2,1-2H3,(H,18,19)/b17-14+
InChIKeyPVSQKTWPYSAJSC-SAPNQHFASA-N
XLogP4.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
N-[(E)-1-(4-methylphenyl)propylideneamino]decanamide
CID 6262832
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide
CID 6063002
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N-[(E)-1-(4-methoxyphenyl)propylideneamino]decanamide
CID 6004456
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide (CID 6029977) is N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide is CCCCCC(=O)N/N=C(\CC)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide?
The InChIKey is PVSQKTWPYSAJSC-SAPNQHFASA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-5-6-7-15(19)18-17-14(4-2)12-8-10-13(16)11-9-12/h8-11H,3-7H2,1-2H3,(H,18,19)/b17-14+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide?
N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide has a molecular weight of 280.80 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide is sourced from PubChem (CID 6029977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).