[2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium

C23H23NOP+ — CID 10363317

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium
SMILESO=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC1CC1
InChIInChI=1S/C23H22NOP/c25-23(24-19-16-17-19)18-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19H,16-18H2/p+1
InChIKeyYNEBPFIVMFIOQM-UHFFFAOYSA-O
MW360.42 g/mol
LogP3.26
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium

[2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium (PubChem CID 10363317) has the molecular formula C23H23NOP+ and a molecular weight of 360.42 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium
PubChem CID10363317
Molecular FormulaC23H23NOP+
Molecular Weight360.42 g/mol
Exact Mass360.15
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium
SMILESO=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC1CC1
InChIInChI=1S/C23H22NOP/c25-23(24-19-16-17-19)18-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19H,16-18H2/p+1
InChIKeyYNEBPFIVMFIOQM-UHFFFAOYSA-O
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-phenylacetamide
CID 5175687
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355
(2S)-2-benzyl-4-(cyclohexylamino)-4-oxobutanoic acid
CID 829380
5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid
CID 102551934
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
4-(3-phenylpentanoylamino)cyclohexane-1-carboxylic acid
CID 119229843
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
CID 79401824
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium (CID 10363317) is [2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium is O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium?
The InChIKey is YNEBPFIVMFIOQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H22NOP/c25-23(24-19-16-17-19)18-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19H,16-18H2/p+1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium?
[2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium has a molecular weight of 360.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium is sourced from PubChem (CID 10363317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).