N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide

C11H15N3O2 — CID 952336

IUPACN-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NN)cc1
InChIInChI=1S/C11H15N3O2/c1-7(2)10(15)13-9-5-3-8(4-6-9)11(16)14-12/h3-7H,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyHOULIXFTBYXIJA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.88
Rot. Bonds3

About N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide

N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide (PubChem CID 952336) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
PubChem CID952336
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NN)cc1
InChIInChI=1S/C11H15N3O2/c1-7(2)10(15)13-9-5-3-8(4-6-9)11(16)14-12/h3-7H,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyHOULIXFTBYXIJA-UHFFFAOYSA-N
XLogP0.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
4-(2-methylpropanoylamino)-N-[(2S)-pentan-2-yl]benzamide
CID 977274
4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 977275
N-(4-carbamothioylphenyl)-2-methylpropanamide
CID 24694083
N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925295
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 71207836
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide (CID 952336) is N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)NN)cc1.
What is the InChIKey of N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide?
The InChIKey is HOULIXFTBYXIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(2)10(15)13-9-5-3-8(4-6-9)11(16)14-12/h3-7H,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide?
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide has a molecular weight of 221.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 952336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).