[2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium

C10H21NO2P+ — CID 174449957

IUPAC[2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium
SMILESCCCN(CCC)C(=O)C[P+](=O)CC
InChIInChI=1S/C10H21NO2P/c1-4-7-11(8-5-2)10(12)9-14(13)6-3/h4-9H2,1-3H3/q+1
InChIKeyVWZVYRBVXJAGLC-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.48
Rot. Bonds7

About [2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium

[2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium (PubChem CID 174449957) has the molecular formula C10H21NO2P+ and a molecular weight of 218.26 g/mol. Its IUPAC name is [2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium.

Molecular Properties

Compound Name[2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium
PubChem CID174449957
Molecular FormulaC10H21NO2P+
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name[2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium
SMILESCCCN(CCC)C(=O)C[P+](=O)CC
InChIInChI=1S/C10H21NO2P/c1-4-7-11(8-5-2)10(12)9-14(13)6-3/h4-9H2,1-3H3/q+1
InChIKeyVWZVYRBVXJAGLC-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N,N-dipropylpropanamide
CID 62833888
[2-(dipropylamino)-2-oxoethyl]phosphonic acid
CID 19906185
3-[acetyl(propyl)amino]-N,N-dipropylpropanamide
CID 113114998
N,N-dipropylnonadecanamide
CID 12960009
2-(cyclohexylamino)-N,N-dipropylacetamide
CID 54816383
(E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide
CID 143023885
N,N-dipropyl-2-(prop-2-ynylamino)acetamide
CID 112722308
2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
CID 138501380
4-amino-N,N-dipropylbutanamide
CID 12835718
3-amino-N,N-dipropylbutanamide
CID 60836307
3-iodo-1,1-dipropylurea
CID 87969845
(2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid
CID 104875289

Frequently Asked Questions

What is the IUPAC name of [2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium?
The IUPAC name of [2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium (CID 174449957) is [2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium.
What is the SMILES notation for [2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium?
The canonical SMILES for [2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium is CCCN(CCC)C(=O)C[P+](=O)CC.
What is the InChIKey of [2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium?
The InChIKey is VWZVYRBVXJAGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2P/c1-4-7-11(8-5-2)10(12)9-14(13)6-3/h4-9H2,1-3H3/q+1.
What are the key properties of [2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium?
[2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium has a molecular weight of 218.26 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium is sourced from PubChem (CID 174449957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).