N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C16H28N2O2 — CID 66469006

IUPACN-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C16H28N2O2/c1-18(10-11-8-13(19)9-11)16(20)15-7-6-12-4-2-3-5-14(12)17-15/h11-15,17,19H,2-10H2,1H3
InChIKeyKUMMXEOYYQQBRE-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.53
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66469006) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66469006
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C16H28N2O2/c1-18(10-11-8-13(19)9-11)16(20)15-7-6-12-4-2-3-5-14(12)17-15/h11-15,17,19H,2-10H2,1H3
InChIKeyKUMMXEOYYQQBRE-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119855579
N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119341289
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470400
N-(2-methoxyethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280509
N-methyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119281282
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54999254
5-cyclopropyl-N-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 164646306
N-propan-2-yl-N-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469565
N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470763
N-methyl-N-pyridin-4-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 106935062
N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 82949166
N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469773

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66469006) is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is CN(CC1CC(O)C1)C(=O)C1CCC2CCCCC2N1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is KUMMXEOYYQQBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-18(10-11-8-13(19)9-11)16(20)15-7-6-12-4-2-3-5-14(12)17-15/h11-15,17,19H,2-10H2,1H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66469006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).