2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide

C16H30N2O3 — CID 110125700

IUPAC2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)CN(C)C2CCCC2)[C@H]1O
InChIInChI=1S/C16H30N2O3/c1-17(12-7-4-5-8-12)11-15(19)18(2)13-9-6-10-14(21-3)16(13)20/h12-14,16,20H,4-11H2,1-3H3/t13-,14-,16-/m1/s1
InChIKeyQUEUREITEVTFSX-IIAWOOMASA-N
MW298.43 g/mol
LogP1.25
Rot. Bonds5

About 2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide

2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide (PubChem CID 110125700) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide
PubChem CID110125700
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)CN(C)C2CCCC2)[C@H]1O
InChIInChI=1S/C16H30N2O3/c1-17(12-7-4-5-8-12)11-15(19)18(2)13-9-6-10-14(21-3)16(13)20/h12-14,16,20H,4-11H2,1-3H3/t13-,14-,16-/m1/s1
InChIKeyQUEUREITEVTFSX-IIAWOOMASA-N
XLogP1.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide
CID 110125284
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110125644
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125632
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110125265
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide
CID 110126014
3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125695
(1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol
CID 67880117
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N-methylpyrimidine-4-carboxamide
CID 110126055
3-bromo-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide
CID 110166182
3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide
CID 110125598
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 155983827
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 110166183

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide (CID 110125700) is 2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide is CO[C@@H]1CCC[C@@H](N(C)C(=O)CN(C)C2CCCC2)[C@H]1O.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide?
The InChIKey is QUEUREITEVTFSX-IIAWOOMASA-N. The full InChI is InChI=1S/C16H30N2O3/c1-17(12-7-4-5-8-12)11-15(19)18(2)13-9-6-10-14(21-3)16(13)20/h12-14,16,20H,4-11H2,1-3H3/t13-,14-,16-/m1/s1.
What are the key properties of 2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide?
2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide has a molecular weight of 298.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide is sourced from PubChem (CID 110125700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).