N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide

C18H19N3O — CID 2765793

IUPACN-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-13-19-14-17(22)20-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,19H,1,13-14H2,(H,20,22)
InChIKeyJKKLJBXTQRNNDJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.33
Rot. Bonds7

About N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide

N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide (PubChem CID 2765793) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide
PubChem CID2765793
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-13-19-14-17(22)20-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,19H,1,13-14H2,(H,20,22)
InChIKeyJKKLJBXTQRNNDJ-UHFFFAOYSA-N
XLogP2.33
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
2-[(2Z)-2-(1-methyl-3-phenylpropylidene)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 6387008
2-(cyclohexylamino)-N'-(diphenylmethylene)acetohydrazide
CID 1479790
2-(cyclohexylamino)-N-[(diphenylmethylene)amino]propanamide
CID 3700372
N'-(diphenylmethylene)-2-(1-pyrrolidinyl)acetohydrazide
CID 3725669
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
(Z)-N-[1-Methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-acrylamide
CID 9699567
N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3236319
N-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
2-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 145966645
2-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 145977849

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide (CID 2765793) is N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide?
The InChIKey is JKKLJBXTQRNNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-13-19-14-17(22)20-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,19H,1,13-14H2,(H,20,22).
What are the key properties of N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide?
N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 2765793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).