acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide

C18H21N3O4 — CID 172856727

IUPACacetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
SMILESCC(=O)O.NNC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C16H17N3O2.C2H4O2/c17-19-16(21)13-7-9-14(10-8-13)18-15(20)11-6-12-4-2-1-3-5-12;1-2(3)4/h1-5,7-10H,6,11,17H2,(H,18,20)(H,19,21);1H3,(H,3,4)
InChIKeyYUNVDESVCFUAPP-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.95
Rot. Bonds5

About acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide

acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide (PubChem CID 172856727) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Nameacetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
PubChem CID172856727
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Nameacetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
SMILESCC(=O)O.NNC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C16H17N3O2.C2H4O2/c17-19-16(21)13-7-9-14(10-8-13)18-15(20)11-6-12-4-2-1-3-5-12;1-2(3)4/h1-5,7-10H,6,11,17H2,(H,18,20)(H,19,21);1H3,(H,3,4)
InChIKeyYUNVDESVCFUAPP-UHFFFAOYSA-N
XLogP1.95
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

4-(3-phenylpropanoylamino)benzamide
CID 675903
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
CID 17201204
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide
CID 600576
N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
4-methyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17233692

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide?
The IUPAC name of acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide (CID 172856727) is acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide is CC(=O)O.NNC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide?
The InChIKey is YUNVDESVCFUAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2.C2H4O2/c17-19-16(21)13-7-9-14(10-8-13)18-15(20)11-6-12-4-2-1-3-5-12;1-2(3)4/h1-5,7-10H,6,11,17H2,(H,18,20)(H,19,21);1H3,(H,3,4).
What are the key properties of acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide?
acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide has a molecular weight of 343.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 172856727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).