N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

C16H30N2O3 — CID 15991680

IUPACN-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCOCCNC(=O)C(NC(=O)C1CCC(C)CC1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)14(16(20)17-9-10-21-4)18-15(19)13-7-5-12(3)6-8-13/h11-14H,5-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyYKSBVKCNHHYONL-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.72
Rot. Bonds7

About N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 15991680) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID15991680
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCOCCNC(=O)C(NC(=O)C1CCC(C)CC1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)14(16(20)17-9-10-21-4)18-15(19)13-7-5-12(3)6-8-13/h11-14H,5-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyYKSBVKCNHHYONL-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 15991680) is N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is COCCNC(=O)C(NC(=O)C1CCC(C)CC1)C(C)C.
What is the InChIKey of N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is YKSBVKCNHHYONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)14(16(20)17-9-10-21-4)18-15(19)13-7-5-12(3)6-8-13/h11-14H,5-10H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 15991680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).