N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C15H27NO2 — CID 112548115

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCC(CO)N(C)C(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C15H27NO2/c1-11(10-17)16(2)15(18)14-8-7-12-5-3-4-6-13(12)9-14/h11-14,17H,3-10H2,1-2H3
InChIKeyRMGMKJJQQIMADO-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.43
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 112548115) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID112548115
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCC(CO)N(C)C(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C15H27NO2/c1-11(10-17)16(2)15(18)14-8-7-12-5-3-4-6-13(12)9-14/h11-14,17H,3-10H2,1-2H3
InChIKeyRMGMKJJQQIMADO-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
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-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 112548115) is N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is CC(CO)N(C)C(=O)C1CCC2CCCCC2C1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is RMGMKJJQQIMADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(10-17)16(2)15(18)14-8-7-12-5-3-4-6-13(12)9-14/h11-14,17H,3-10H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 112548115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).