N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide

C20H23N3O — CID 3641131

IUPACN-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)NN=C(c1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C20H23N3O/c1-16(23-14-8-9-15-23)20(24)22-21-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3,(H,22,24)
InChIKeyWCYCWOUIYVIIQW-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.04
Rot. Bonds5

About N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide

N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide (PubChem CID 3641131) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide
PubChem CID3641131
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)NN=C(c1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C20H23N3O/c1-16(23-14-8-9-15-23)20(24)22-21-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3,(H,22,24)
InChIKeyWCYCWOUIYVIIQW-UHFFFAOYSA-N
XLogP3.04
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(benzhydrylideneamino)-2-chloropropanamide
CID 1488884
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(3S)-N-(benzhydrylideneamino)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 95275334
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide
CID 1332847
N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide
CID 75362387
3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
CID 69248199
(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 32728580
N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
CID 119527892
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide (CID 3641131) is N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide is CC(C(=O)NN=C(c1ccccc1)c1ccccc1)N1CCCC1.
What is the InChIKey of N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is WCYCWOUIYVIIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-16(23-14-8-9-15-23)20(24)22-21-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3,(H,22,24).
What are the key properties of N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide?
N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 321.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 3641131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).