N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide

C24H31N3O4 — CID 4948472

IUPACN-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)c1
InChIInChI=1S/C24H31N3O4/c1-16(2)13-14-31-20-9-7-19(8-10-20)24(30)27-26-23(29)12-11-22(28)25-21-15-17(3)5-6-18(21)4/h5-10,15-16H,11-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyDSCKQQYIYPHVSB-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.91
Rot. Bonds9

About N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide

N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 4948472) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide
PubChem CID4948472
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)c1
InChIInChI=1S/C24H31N3O4/c1-16(2)13-14-31-20-9-7-19(8-10-20)24(30)27-26-23(29)12-11-22(28)25-21-15-17(3)5-6-18(21)4/h5-10,15-16H,11-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyDSCKQQYIYPHVSB-UHFFFAOYSA-N
XLogP3.91
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 3342447
N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 17353600
N'-butanoyl-4-(3-methylbutoxy)benzohydrazide
CID 4927928
4-[2-(3-bromo-4-methylbenzoyl)hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 4554325
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
CID 54789257
4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
4-[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22687067
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513201
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide (CID 4948472) is N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide is Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is DSCKQQYIYPHVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-16(2)13-14-31-20-9-7-19(8-10-20)24(30)27-26-23(29)12-11-22(28)25-21-15-17(3)5-6-18(21)4/h5-10,15-16H,11-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 425.53 g/mol, XLogP of 3.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 4948472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).