N-[(4-butoxyphenyl)methylideneamino]dodecanamide

C23H38N2O2 — CID 3705573

IUPACN-[(4-butoxyphenyl)methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=Cc1ccc(OCCCC)cc1
InChIInChI=1S/C23H38N2O2/c1-3-5-7-8-9-10-11-12-13-14-23(26)25-24-20-21-15-17-22(18-16-21)27-19-6-4-2/h15-18,20H,3-14,19H2,1-2H3,(H,25,26)
InChIKeyKGYFBDIOXZNGQG-UHFFFAOYSA-N
MW374.57 g/mol
LogP6.24
Rot. Bonds16

About N-[(4-butoxyphenyl)methylideneamino]dodecanamide

N-[(4-butoxyphenyl)methylideneamino]dodecanamide (PubChem CID 3705573) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methylideneamino]dodecanamide.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methylideneamino]dodecanamide
PubChem CID3705573
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC NameN-[(4-butoxyphenyl)methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=Cc1ccc(OCCCC)cc1
InChIInChI=1S/C23H38N2O2/c1-3-5-7-8-9-10-11-12-13-14-23(26)25-24-20-21-15-17-22(18-16-21)27-19-6-4-2/h15-18,20H,3-14,19H2,1-2H3,(H,25,26)
InChIKeyKGYFBDIOXZNGQG-UHFFFAOYSA-N
XLogP6.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]hexadecanamide
CID 51061289
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 75087369
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 45054424
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide
CID 3709189
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methylideneamino]dodecanamide?
The IUPAC name of N-[(4-butoxyphenyl)methylideneamino]dodecanamide (CID 3705573) is N-[(4-butoxyphenyl)methylideneamino]dodecanamide.
What is the SMILES notation for N-[(4-butoxyphenyl)methylideneamino]dodecanamide?
The canonical SMILES for N-[(4-butoxyphenyl)methylideneamino]dodecanamide is CCCCCCCCCCCC(=O)NN=Cc1ccc(OCCCC)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methylideneamino]dodecanamide?
The InChIKey is KGYFBDIOXZNGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-3-5-7-8-9-10-11-12-13-14-23(26)25-24-20-21-15-17-22(18-16-21)27-19-6-4-2/h15-18,20H,3-14,19H2,1-2H3,(H,25,26).
What are the key properties of N-[(4-butoxyphenyl)methylideneamino]dodecanamide?
N-[(4-butoxyphenyl)methylideneamino]dodecanamide has a molecular weight of 374.57 g/mol, XLogP of 6.24, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methylideneamino]dodecanamide is sourced from PubChem (CID 3705573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).