propyl 4-(dihexylamino)-4-oxobutanoate

C19H37NO3 — CID 91702548

IUPACpropyl 4-(dihexylamino)-4-oxobutanoate
SMILESCCCCCCN(CCCCCC)C(=O)CCC(=O)OCCC
InChIInChI=1S/C19H37NO3/c1-4-7-9-11-15-20(16-12-10-8-5-2)18(21)13-14-19(22)23-17-6-3/h4-17H2,1-3H3
InChIKeyKVPJKMZLFDMFAW-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.71
Rot. Bonds15

About propyl 4-(dihexylamino)-4-oxobutanoate

propyl 4-(dihexylamino)-4-oxobutanoate (PubChem CID 91702548) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is propyl 4-(dihexylamino)-4-oxobutanoate.

Molecular Properties

Compound Namepropyl 4-(dihexylamino)-4-oxobutanoate
PubChem CID91702548
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Namepropyl 4-(dihexylamino)-4-oxobutanoate
SMILESCCCCCCN(CCCCCC)C(=O)CCC(=O)OCCC
InChIInChI=1S/C19H37NO3/c1-4-7-9-11-15-20(16-12-10-8-5-2)18(21)13-14-19(22)23-17-6-3/h4-17H2,1-3H3
InChIKeyKVPJKMZLFDMFAW-UHFFFAOYSA-N
XLogP4.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Propyl N,N-diethylsuccinamate
CID 79913
Ethyl 4-(dipropylamino)-4-oxobutanoate
CID 82404
Ethyl 4-(diethylamino)-4-oxobutanoate
CID 347845
Ethyl 4-oxo-4-(piperidin-1-yl)butanoate
CID 245452
4-ethoxy-N,N-dihexylbutanamide
CID 91387324
Methyl 4-(dipropylamino)-4-oxobutanoate
CID 245465
N,N-Dihexyl-succinamic acid
CID 575037
Methyl 4-(diethylamino)-4-oxobutanoate
CID 14530136
Butan-2-yl 4-(dipropylamino)-4-oxobutanoate
CID 245414
Succinic acid, monoamide, N,N-dioctyl-, isobutyl ester
CID 91693379
Succinic acid, monoamide, N,N-di(2-ethylhexyl)-, isohexyl ester
CID 91698747
Succinic acid, monoamide, N,N-dicyclohexyl-, hexyl ester
CID 91701072

Frequently Asked Questions

What is the IUPAC name of propyl 4-(dihexylamino)-4-oxobutanoate?
The IUPAC name of propyl 4-(dihexylamino)-4-oxobutanoate (CID 91702548) is propyl 4-(dihexylamino)-4-oxobutanoate.
What is the SMILES notation for propyl 4-(dihexylamino)-4-oxobutanoate?
The canonical SMILES for propyl 4-(dihexylamino)-4-oxobutanoate is CCCCCCN(CCCCCC)C(=O)CCC(=O)OCCC.
What is the InChIKey of propyl 4-(dihexylamino)-4-oxobutanoate?
The InChIKey is KVPJKMZLFDMFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-4-7-9-11-15-20(16-12-10-8-5-2)18(21)13-14-19(22)23-17-6-3/h4-17H2,1-3H3.
What are the key properties of propyl 4-(dihexylamino)-4-oxobutanoate?
propyl 4-(dihexylamino)-4-oxobutanoate has a molecular weight of 327.51 g/mol, XLogP of 4.71, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(dihexylamino)-4-oxobutanoate is sourced from PubChem (CID 91702548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).