2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide

C17H30N2O2 — CID 131936232

IUPAC2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide
SMILESCC1(C(=O)NC2(CN3CCCC3)CCCCC2)CCCO1
InChIInChI=1S/C17H30N2O2/c1-16(8-7-13-21-16)15(20)18-17(9-3-2-4-10-17)14-19-11-5-6-12-19/h2-14H2,1H3,(H,18,20)
InChIKeyFMNNLMKTKKHDRV-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.47
Rot. Bonds4

About 2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide

2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide (PubChem CID 131936232) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide
PubChem CID131936232
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide
SMILESCC1(C(=O)NC2(CN3CCCC3)CCCCC2)CCCO1
InChIInChI=1S/C17H30N2O2/c1-16(8-7-13-21-16)15(20)18-17(9-3-2-4-10-17)14-19-11-5-6-12-19/h2-14H2,1H3,(H,18,20)
InChIKeyFMNNLMKTKKHDRV-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide
CID 125445019
4-[(1-hydroxycyclohexyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 132775545
2-methyl-N-(pyrrolidin-3-ylmethyl)oxolane-2-carboxamide
CID 80563332
1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide
CID 125437379
2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide
CID 115686783
N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide
CID 115686684
N-(1-chloropropan-2-yl)-2-methyloxolane-2-carboxamide
CID 114299647
ethyl N-[[(2S)-2-methyloxolane-2-carbonyl]amino]carbamate
CID 99634055
(E)-3-(1-methylpyrazol-4-yl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]prop-2-enamide
CID 56756100
3-methyl-N-[1-methylsulfanyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]butanamide
CID 134506052
N-(6-bromohexyl)-2-methyloxolane-2-carboxamide
CID 107847632
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyloxolane-2-carboxamide
CID 103782192

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide (CID 131936232) is 2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide is CC1(C(=O)NC2(CN3CCCC3)CCCCC2)CCCO1.
What is the InChIKey of 2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide?
The InChIKey is FMNNLMKTKKHDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-16(8-7-13-21-16)15(20)18-17(9-3-2-4-10-17)14-19-11-5-6-12-19/h2-14H2,1H3,(H,18,20).
What are the key properties of 2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide?
2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]oxolane-2-carboxamide is sourced from PubChem (CID 131936232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).