[(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate

C14H25NO4 — CID 141112503

IUPAC[(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate
SMILESCOCCN(C)C(=O)[C@H](CC1CCCCC1)OC=O
InChIInChI=1S/C14H25NO4/c1-15(8-9-18-2)14(17)13(19-11-16)10-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeySIDXJUBJNSPTKL-ZDUSSCGKSA-N
MW271.36 g/mol
LogP1.60
Rot. Bonds8

About [(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate

[(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate (PubChem CID 141112503) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate
PubChem CID141112503
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name[(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate
SMILESCOCCN(C)C(=O)[C@H](CC1CCCCC1)OC=O
InChIInChI=1S/C14H25NO4/c1-15(8-9-18-2)14(17)13(19-11-16)10-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeySIDXJUBJNSPTKL-ZDUSSCGKSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(2S)-3-cyclohexyl-1-(dimethylamino)-1-oxopropan-2-yl] formate
CID 141112494
2-amino-3-cyclohexyl-N-(3-methoxypropyl)-N-methylpropanamide
CID 114264774
[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate
CID 141112484
N-(2-methoxyethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide
CID 58394849
1-cyclopentyl-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 103159826
N-(2-aminoethyl)-2-cycloheptyl-N-(2-methoxyethyl)acetamide
CID 114459191
N-(2-methoxyethyl)-N-methyl-2-piperidin-3-ylacetamide
CID 62690898
N-(cyclohexylmethyl)-2-methoxy-N-methylpropanamide
CID 112685953
2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-N-methylacetamide
CID 61042213
2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid
CID 103159326
2-amino-N-(cyclopentylmethyl)-4-methoxy-N-methylbutanamide
CID 63654910
2-[cyclobutylmethyl(2-methoxyethyl)amino]acetic acid
CID 65457394

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate?
The IUPAC name of [(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate (CID 141112503) is [(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate is COCCN(C)C(=O)[C@H](CC1CCCCC1)OC=O.
What is the InChIKey of [(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate?
The InChIKey is SIDXJUBJNSPTKL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25NO4/c1-15(8-9-18-2)14(17)13(19-11-16)10-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate?
[(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate has a molecular weight of 271.36 g/mol, XLogP of 1.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate is sourced from PubChem (CID 141112503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).