N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide

C23H29N3O3 — CID 3365224

IUPACN'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
SMILESCCCCOc1cccc(C=NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C23H29N3O3/c1-4-5-13-29-20-8-6-7-19(15-20)16-24-26-23(28)12-11-22(27)25-21-14-17(2)9-10-18(21)3/h6-10,14-16H,4-5,11-13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyKESYRFSMVHOZPC-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.35
Rot. Bonds10

About N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide

N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide (PubChem CID 3365224) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
PubChem CID3365224
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
SMILESCCCCOc1cccc(C=NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C23H29N3O3/c1-4-5-13-29-20-8-6-7-19(15-20)16-24-26-23(28)12-11-22(27)25-21-14-17(2)9-10-18(21)3/h6-10,14-16H,4-5,11-13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyKESYRFSMVHOZPC-UHFFFAOYSA-N
XLogP4.35
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide
CID 3421421
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3286150
N-(2,5-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 3297103
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
N-(2,5-dimethylphenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 5197278
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
methyl 2-[3-[[[4-(4-methylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3916710
N'-[(Z)-[3-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 126162951
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 3675833
N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide
CID 4022136
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788

Frequently Asked Questions

What is the IUPAC name of N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
The IUPAC name of N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide (CID 3365224) is N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide.
What is the SMILES notation for N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
The canonical SMILES for N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide is CCCCOc1cccc(C=NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
The InChIKey is KESYRFSMVHOZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-5-13-29-20-8-6-7-19(15-20)16-24-26-23(28)12-11-22(27)25-21-14-17(2)9-10-18(21)3/h6-10,14-16H,4-5,11-13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide?
N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide has a molecular weight of 395.50 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide is sourced from PubChem (CID 3365224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).