4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide

C12H20N4O2 — CID 66258931

IUPAC4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C12H20N4O2/c1-3-13-10-8-18-7-9(10)12(17)16(2)6-11-14-4-5-15-11/h4-5,9-10,13H,3,6-8H2,1-2H3,(H,14,15)
InChIKeyOMIHDWCUNZLXLF-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.01
Rot. Bonds5

About 4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide

4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide (PubChem CID 66258931) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
PubChem CID66258931
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C12H20N4O2/c1-3-13-10-8-18-7-9(10)12(17)16(2)6-11-14-4-5-15-11/h4-5,9-10,13H,3,6-8H2,1-2H3,(H,14,15)
InChIKeyOMIHDWCUNZLXLF-UHFFFAOYSA-N
XLogP-0.01
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-[(4-ethylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66259629
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258296
methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate
CID 66260426
4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267520
cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66257909
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64852236
N-[(5-bromothiophen-3-yl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258717
4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66258659
N-methyl-4-(propylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66255746
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 63929945
N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 64519230

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide (CID 66258931) is 4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide is CCNC1COCC1C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide?
The InChIKey is OMIHDWCUNZLXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-13-10-8-18-7-9(10)12(17)16(2)6-11-14-4-5-15-11/h4-5,9-10,13H,3,6-8H2,1-2H3,(H,14,15).
What are the key properties of 4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide?
4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66258931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).