trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C19H32N2O3 — CID 98787224

IUPACtrans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCN(C[C@@H]1CCCCO1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C19H32N2O3/c1-20(14-15-8-4-7-13-24-15)18(22)16-9-2-3-10-17(16)19(23)21-11-5-6-12-21/h15-17H,2-14H2,1H3/t15-,16+,17+/m0/s1
InChIKeySKOLZDCWQKMIOK-GVDBMIGSSA-N
MW336.48 g/mol
LogP2.44
Rot. Bonds4

About trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 98787224) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID98787224
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametrans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCN(C[C@@H]1CCCCO1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C19H32N2O3/c1-20(14-15-8-4-7-13-24-15)18(22)16-9-2-3-10-17(16)19(23)21-11-5-6-12-21/h15-17H,2-14H2,1H3/t15-,16+,17+/m0/s1
InChIKeySKOLZDCWQKMIOK-GVDBMIGSSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126391
2-amino-N-methyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 64823844
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 86825071
tert-butyl 3-[methyl(oxan-2-ylmethyl)carbamoyl]azetidine-1-carboxylate
CID 142434776
N,2-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388240
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide
CID 66237284
3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62781110
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
N-methyl-N-(oxan-2-ylmethyl)prop-2-enamide
CID 61435743
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N,6-dimethyl-N-(oxan-2-ylmethyl)piperidine-2-carboxamide
CID 61436111

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 98787224) is trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CN(C[C@@H]1CCCCO1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is SKOLZDCWQKMIOK-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-20(14-15-8-4-7-13-24-15)18(22)16-9-2-3-10-17(16)19(23)21-11-5-6-12-21/h15-17H,2-14H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 98787224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).