methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate

C18H30N2O4 — CID 91646964

IUPACmethyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)NCCNC(=O)CC2CCCC2)CC1
InChIInChI=1S/C18H30N2O4/c1-24-18(23)15-8-6-14(7-9-15)17(22)20-11-10-19-16(21)12-13-4-2-3-5-13/h13-15H,2-12H2,1H3,(H,19,21)(H,20,22)
InChIKeySYLXCTCZUYSMOS-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.78
Rot. Bonds7

About methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate

methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate (PubChem CID 91646964) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate
PubChem CID91646964
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Namemethyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)NCCNC(=O)CC2CCCC2)CC1
InChIInChI=1S/C18H30N2O4/c1-24-18(23)15-8-6-14(7-9-15)17(22)20-11-10-19-16(21)12-13-4-2-3-5-13/h13-15H,2-12H2,1H3,(H,19,21)(H,20,22)
InChIKeySYLXCTCZUYSMOS-UHFFFAOYSA-N
XLogP1.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide
CID 119313809
4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
CID 119502006
methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate
CID 130283512
N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015576
methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate
CID 60622944
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride
CID 119766819
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate (CID 91646964) is methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(C(=O)NCCNC(=O)CC2CCCC2)CC1.
What is the InChIKey of methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate?
The InChIKey is SYLXCTCZUYSMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-24-18(23)15-8-6-14(7-9-15)17(22)20-11-10-19-16(21)12-13-4-2-3-5-13/h13-15H,2-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate?
methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate has a molecular weight of 338.45 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 91646964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).