N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C17H30N2O2 — CID 91646308

IUPACN-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30N2O2/c1-12(16(20)18-2)11-19(3)17(21)15-9-8-13-6-4-5-7-14(13)10-15/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyCZMLIKZJNPETSG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.43
Rot. Bonds4

About N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 91646308) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID91646308
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30N2O2/c1-12(16(20)18-2)11-19(3)17(21)15-9-8-13-6-4-5-7-14(13)10-15/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyCZMLIKZJNPETSG-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 91646308) is N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is CNC(=O)C(C)CN(C)C(=O)C1CCC2CCCCC2C1.
What is the InChIKey of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is CZMLIKZJNPETSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(16(20)18-2)11-19(3)17(21)15-9-8-13-6-4-5-7-14(13)10-15/h12-15H,4-11H2,1-3H3,(H,18,20).
What are the key properties of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 91646308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).