methyl 2-cyclohexyl-2-(dibenzylamino)propanoate

C24H31NO2 — CID 174673383

IUPACmethyl 2-cyclohexyl-2-(dibenzylamino)propanoate
SMILESCOC(=O)C(C)(C1CCCCC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NO2/c1-24(23(26)27-2,22-16-10-5-11-17-22)25(18-20-12-6-3-7-13-20)19-21-14-8-4-9-15-21/h3-4,6-9,12-15,22H,5,10-11,16-19H2,1-2H3
InChIKeyBCMXOTUCUMYVAL-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.20
Rot. Bonds7

About methyl 2-cyclohexyl-2-(dibenzylamino)propanoate

methyl 2-cyclohexyl-2-(dibenzylamino)propanoate (PubChem CID 174673383) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-(dibenzylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-(dibenzylamino)propanoate
PubChem CID174673383
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Namemethyl 2-cyclohexyl-2-(dibenzylamino)propanoate
SMILESCOC(=O)C(C)(C1CCCCC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NO2/c1-24(23(26)27-2,22-16-10-5-11-17-22)25(18-20-12-6-3-7-13-20)19-21-14-8-4-9-15-21/h3-4,6-9,12-15,22H,5,10-11,16-19H2,1-2H3
InChIKeyBCMXOTUCUMYVAL-UHFFFAOYSA-N
XLogP5.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
3-O-benzyl 1-O-methyl 2,2-dicyclohexylpropanedioate
CID 175180069
2-(benzylamino)-2-cyclohexylpropanoic acid
CID 63320736
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
ethyl 2-cyclopropyl-2-(dibenzylamino)-2-phenylacetate
CID 56927078
methyl 4-[(N-cyclohexylanilino)methyl]benzoate
CID 174449163
3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one
CID 71415199
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
1-cyclohexyl-2-(dibenzylamino)ethanone
CID 130167125
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-2-(dibenzylamino)propanoate?
The IUPAC name of methyl 2-cyclohexyl-2-(dibenzylamino)propanoate (CID 174673383) is methyl 2-cyclohexyl-2-(dibenzylamino)propanoate.
What is the SMILES notation for methyl 2-cyclohexyl-2-(dibenzylamino)propanoate?
The canonical SMILES for methyl 2-cyclohexyl-2-(dibenzylamino)propanoate is COC(=O)C(C)(C1CCCCC1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 2-cyclohexyl-2-(dibenzylamino)propanoate?
The InChIKey is BCMXOTUCUMYVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-24(23(26)27-2,22-16-10-5-11-17-22)25(18-20-12-6-3-7-13-20)19-21-14-8-4-9-15-21/h3-4,6-9,12-15,22H,5,10-11,16-19H2,1-2H3.
What are the key properties of methyl 2-cyclohexyl-2-(dibenzylamino)propanoate?
methyl 2-cyclohexyl-2-(dibenzylamino)propanoate has a molecular weight of 365.52 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-(dibenzylamino)propanoate is sourced from PubChem (CID 174673383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).