methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate

C16H29NO4 — CID 114450539

IUPACmethyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate
SMILESCCC(C)(C)NC(=O)C(C)OC1CCC(C(=O)OC)CC1
InChIInChI=1S/C16H29NO4/c1-6-16(3,4)17-14(18)11(2)21-13-9-7-12(8-10-13)15(19)20-5/h11-13H,6-10H2,1-5H3,(H,17,18)
InChIKeyBQLSDWRCQPGOCA-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.43
Rot. Bonds6

About methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate

methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate (PubChem CID 114450539) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate
PubChem CID114450539
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namemethyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate
SMILESCCC(C)(C)NC(=O)C(C)OC1CCC(C(=O)OC)CC1
InChIInChI=1S/C16H29NO4/c1-6-16(3,4)17-14(18)11(2)21-13-9-7-12(8-10-13)15(19)20-5/h11-13H,6-10H2,1-5H3,(H,17,18)
InChIKeyBQLSDWRCQPGOCA-UHFFFAOYSA-N
XLogP2.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate
CID 114450536
N-(2-methylbutan-2-yl)-2-piperidin-3-yloxypropanamide
CID 43117590
methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 115537909
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922
methyl 4-(2-hydroxy-2-methylbutoxy)cyclohexane-1-carboxylate
CID 114491375
methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60672509
2-[(3-methoxycyclopentyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 103080697
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate
CID 137320952
methyl 4-(1-cyanoethoxy)cyclohexane-1-carboxylate
CID 114450506
cyclopropyl N-(2-methylbutan-2-yl)carbamate
CID 165444750
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide
CID 65052494
methyl 4-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylate
CID 114450672

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate (CID 114450539) is methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate is CCC(C)(C)NC(=O)C(C)OC1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate?
The InChIKey is BQLSDWRCQPGOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-6-16(3,4)17-14(18)11(2)21-13-9-7-12(8-10-13)15(19)20-5/h11-13H,6-10H2,1-5H3,(H,17,18).
What are the key properties of methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate?
methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate is sourced from PubChem (CID 114450539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).