dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate

C19H32N2O5 — CID 10429123

IUPACdimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate
SMILESCOC(=O)CC(C(=O)OC)N(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H32N2O5/c1-25-17(22)13-16(18(23)26-2)21(15-11-7-4-8-12-15)19(24)20-14-9-5-3-6-10-14/h14-16H,3-13H2,1-2H3,(H,20,24)
InChIKeyASQPATIGGSIQMG-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.77
Rot. Bonds6

About dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate

dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate (PubChem CID 10429123) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate.

Molecular Properties

Compound Namedimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate
PubChem CID10429123
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Namedimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate
SMILESCOC(=O)CC(C(=O)OC)N(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H32N2O5/c1-25-17(22)13-16(18(23)26-2)21(15-11-7-4-8-12-15)19(24)20-14-9-5-3-6-10-14/h14-16H,3-13H2,1-2H3,(H,20,24)
InChIKeyASQPATIGGSIQMG-UHFFFAOYSA-N
XLogP2.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-(dicyclohexylcarbamoylamino)-3-methylbutanoate
CID 663938
4-O-methyl 1-O-propan-2-yl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate
CID 10363365
Methyl 3-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-(diethylamino)-4-oxobutanoate
CID 10364173
Dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate
CID 11778856
Methyl 3-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-(ethylamino)-4-oxobutanoate
CID 134915277
Diethyl 2-[cyclohexylcarbamoyl(3-trimethoxysilylpropyl)amino]butanedioate
CID 57616550
Bis[2-(cyclohexylcarbamoylamino)ethyl] butanedioate
CID 57980252
Diethyl 2-[6-[(1,4-diethoxy-1,4-dioxobutan-2-yl)carbamoylamino]hexylcarbamoylamino]butanedioate
CID 59345985
methyl (2S)-2-(dicyclohexylcarbamoylamino)propanoate
CID 934212
Methyl 2-(dicyclohexylcarbamoylamino)propanoate
CID 3889117
Methyl 2-(dicyclohexylcarbamoylamino)-3-methylbutanoate
CID 3944679
2-[[Cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62479902

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate?
The IUPAC name of dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate (CID 10429123) is dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate.
What is the SMILES notation for dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate?
The canonical SMILES for dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate is COC(=O)CC(C(=O)OC)N(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate?
The InChIKey is ASQPATIGGSIQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-25-17(22)13-16(18(23)26-2)21(15-11-7-4-8-12-15)19(24)20-14-9-5-3-6-10-14/h14-16H,3-13H2,1-2H3,(H,20,24).
What are the key properties of dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate?
dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate has a molecular weight of 368.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[cyclohexyl(cyclohexylcarbamoyl)amino]butanedioate is sourced from PubChem (CID 10429123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).