N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide

C13H21N3O2 — CID 91792038

IUPACN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)C1CCCO1
InChIInChI=1S/C13H21N3O2/c1-15-9-7-14-12(15)6-3-8-16(2)13(17)11-5-4-10-18-11/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyICZKCACTSSHWIM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.99
Rot. Bonds5

About N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide

N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide (PubChem CID 91792038) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide
PubChem CID91792038
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)C1CCCO1
InChIInChI=1S/C13H21N3O2/c1-15-9-7-14-12(15)6-3-8-16(2)13(17)11-5-4-10-18-11/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyICZKCACTSSHWIM-UHFFFAOYSA-N
XLogP0.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 135116609
(3R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97143444
(3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133133235
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855520
1-cyclopropyl-5-(1-methylimidazol-2-yl)pentan-1-one
CID 114532079
1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one
CID 115811846
N-[(1-methylimidazol-2-yl)methyl]-4-[(2R)-oxolane-2-carbonyl]-1,4-diazepane-1-carboxamide
CID 126440224
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
CID 103873085
3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 72892737
3-[methyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 93398627
1-(1,4-dioxan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811960
2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91789836

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide (CID 91792038) is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide is CN(CCCc1nccn1C)C(=O)C1CCCO1.
What is the InChIKey of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide?
The InChIKey is ICZKCACTSSHWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-9-7-14-12(15)6-3-8-16(2)13(17)11-5-4-10-18-11/h7,9,11H,3-6,8,10H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide?
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 91792038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).