butyl 4-(dicyclohexylamino)-4-oxobutanoate

C20H35NO3 — CID 91702038

IUPACbutyl 4-(dicyclohexylamino)-4-oxobutanoate
SMILESCCCCOC(=O)CCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H35NO3/c1-2-3-16-24-20(23)15-14-19(22)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h17-18H,2-16H2,1H3
InChIKeyASDPRYRNHBJWCZ-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.60
Rot. Bonds8

About butyl 4-(dicyclohexylamino)-4-oxobutanoate

butyl 4-(dicyclohexylamino)-4-oxobutanoate (PubChem CID 91702038) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is butyl 4-(dicyclohexylamino)-4-oxobutanoate.

Molecular Properties

Compound Namebutyl 4-(dicyclohexylamino)-4-oxobutanoate
PubChem CID91702038
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Namebutyl 4-(dicyclohexylamino)-4-oxobutanoate
SMILESCCCCOC(=O)CCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H35NO3/c1-2-3-16-24-20(23)15-14-19(22)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h17-18H,2-16H2,1H3
InChIKeyASDPRYRNHBJWCZ-UHFFFAOYSA-N
XLogP4.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.60
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

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 butyl 4-(dicyclohexylamino)-4-oxobutanoate?
The IUPAC name of butyl 4-(dicyclohexylamino)-4-oxobutanoate (CID 91702038) is butyl 4-(dicyclohexylamino)-4-oxobutanoate.
What is the SMILES notation for butyl 4-(dicyclohexylamino)-4-oxobutanoate?
The canonical SMILES for butyl 4-(dicyclohexylamino)-4-oxobutanoate is CCCCOC(=O)CCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of butyl 4-(dicyclohexylamino)-4-oxobutanoate?
The InChIKey is ASDPRYRNHBJWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-2-3-16-24-20(23)15-14-19(22)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h17-18H,2-16H2,1H3.
What are the key properties of butyl 4-(dicyclohexylamino)-4-oxobutanoate?
butyl 4-(dicyclohexylamino)-4-oxobutanoate has a molecular weight of 337.50 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(dicyclohexylamino)-4-oxobutanoate is sourced from PubChem (CID 91702038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).