N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide

C15H22N2O — CID 5099857

IUPACN-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide
SMILESCC(=NNC(=O)CC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-10(2)8-15(18)17-16-13(5)14-7-6-11(3)12(4)9-14/h6-7,9-10H,8H2,1-5H3,(H,17,18)
InChIKeyOWEBBRXSNSBCQA-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide

N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide (PubChem CID 5099857) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide
PubChem CID5099857
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide
SMILESCC(=NNC(=O)CC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-10(2)8-15(18)17-16-13(5)14-7-6-11(3)12(4)9-14/h6-7,9-10H,8H2,1-5H3,(H,17,18)
InChIKeyOWEBBRXSNSBCQA-UHFFFAOYSA-N
XLogP3.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide
CID 135799294
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide
CID 4132790
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436
ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
2,4-dichloro-N-[4-[C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]benzamide
CID 4159256
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816
4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 7929054
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
CID 19685204
2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 21370947

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide (CID 5099857) is N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide is CC(=NNC(=O)CC(C)C)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide?
The InChIKey is OWEBBRXSNSBCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)8-15(18)17-16-13(5)14-7-6-11(3)12(4)9-14/h6-7,9-10H,8H2,1-5H3,(H,17,18).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide?
N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide is sourced from PubChem (CID 5099857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).