propyl 4-(dicyclohexylamino)-4-oxobutanoate

C19H33NO3 — CID 91702037

IUPACpropyl 4-(dicyclohexylamino)-4-oxobutanoate
SMILESCCCOC(=O)CCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33NO3/c1-2-15-23-19(22)14-13-18(21)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h16-17H,2-15H2,1H3
InChIKeyYWBPESNQUCOTQZ-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.21
Rot. Bonds7

About propyl 4-(dicyclohexylamino)-4-oxobutanoate

propyl 4-(dicyclohexylamino)-4-oxobutanoate (PubChem CID 91702037) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is propyl 4-(dicyclohexylamino)-4-oxobutanoate.

Molecular Properties

Compound Namepropyl 4-(dicyclohexylamino)-4-oxobutanoate
PubChem CID91702037
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Namepropyl 4-(dicyclohexylamino)-4-oxobutanoate
SMILESCCCOC(=O)CCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33NO3/c1-2-15-23-19(22)14-13-18(21)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h16-17H,2-15H2,1H3
InChIKeyYWBPESNQUCOTQZ-UHFFFAOYSA-N
XLogP4.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propyl 4-(dicyclohexylamino)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Dicyclohexylamino)-4-oxobutanoic acid
CID 586586
4-[Cyclohexyl(methyl)amino]-4-oxobutanoate
CID 6993050
4-(Dicyclohexylamino)-4-oxobutanoate
CID 40784781
2-[(Dicyclohexylcarbamoyl)-methyl]-malonic acid, diethyl ester
CID 544224
Succinic acid, monoamide, N,N-dicyclohexyl-, isohexyl ester
CID 91701056
Succinic acid, monoamide, N,N-dicyclohexyl-, hexyl ester
CID 91701072
Succinic acid, monoamide, N,N-dicyclohexyl-, octyl ester
CID 91701073
Succinic acid, monoamide, N,N-dicyclohexyl-, nonyl ester
CID 91701074
Succinic acid, monoamide, N,N-dicyclohexyl-, decyl ester
CID 91701075
Succinic acid, monoamide, N,N-dicyclohexyl-, undecyl ester
CID 91701076
Succinic acid, monoamide, N,N-dicyclohexyl-, dodecyl ester
CID 91701077
Succinic acid, monoamide, N,N-dicyclohexyl-, isobutyl ester
CID 91701093

Frequently Asked Questions

What is the IUPAC name of propyl 4-(dicyclohexylamino)-4-oxobutanoate?
The IUPAC name of propyl 4-(dicyclohexylamino)-4-oxobutanoate (CID 91702037) is propyl 4-(dicyclohexylamino)-4-oxobutanoate.
What is the SMILES notation for propyl 4-(dicyclohexylamino)-4-oxobutanoate?
The canonical SMILES for propyl 4-(dicyclohexylamino)-4-oxobutanoate is CCCOC(=O)CCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of propyl 4-(dicyclohexylamino)-4-oxobutanoate?
The InChIKey is YWBPESNQUCOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-2-15-23-19(22)14-13-18(21)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h16-17H,2-15H2,1H3.
What are the key properties of propyl 4-(dicyclohexylamino)-4-oxobutanoate?
propyl 4-(dicyclohexylamino)-4-oxobutanoate has a molecular weight of 323.48 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(dicyclohexylamino)-4-oxobutanoate is sourced from PubChem (CID 91702037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).