methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate

C19H37NO2 — CID 145242939

IUPACmethyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate
SMILESCCCCCCN(CCC)C(CC1CCCCC1)C(=O)OC
InChIInChI=1S/C19H37NO2/c1-4-6-7-11-15-20(14-5-2)18(19(21)22-3)16-17-12-9-8-10-13-17/h17-18H,4-16H2,1-3H3
InChIKeyJPTNGOCDNMJMRU-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.79
Rot. Bonds11

About methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate

methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate (PubChem CID 145242939) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate
PubChem CID145242939
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Namemethyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate
SMILESCCCCCCN(CCC)C(CC1CCCCC1)C(=O)OC
InChIInChI=1S/C19H37NO2/c1-4-6-7-11-15-20(14-5-2)18(19(21)22-3)16-17-12-9-8-10-13-17/h17-18H,4-16H2,1-3H3
InChIKeyJPTNGOCDNMJMRU-UHFFFAOYSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.79
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

dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
1-cycloheptylheptan-2-amine
CID 115837607
N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63504271
2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate
CID 140516614
1-cycloheptyloctan-2-ol
CID 115783533
dodecyl 2-(didodecylamino)dodecanoate
CID 171780417
(2S)-2-[dodecyl(propyl)amino]-4-hydroxybutanoic acid
CID 158745889
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate
CID 102863957
1-cyclopentyldecan-2-amine
CID 115835607
2-(cyclohexylmethyl)-4-hydroxyundecanehydrazide
CID 2832774
2-(cyclopentylmethyl)-N-methylhexanamide
CID 70921101

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate?
The IUPAC name of methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate (CID 145242939) is methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate.
What is the SMILES notation for methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate?
The canonical SMILES for methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate is CCCCCCN(CCC)C(CC1CCCCC1)C(=O)OC.
What is the InChIKey of methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate?
The InChIKey is JPTNGOCDNMJMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-4-6-7-11-15-20(14-5-2)18(19(21)22-3)16-17-12-9-8-10-13-17/h17-18H,4-16H2,1-3H3.
What are the key properties of methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate?
methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate has a molecular weight of 311.51 g/mol, XLogP of 4.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate is sourced from PubChem (CID 145242939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).