N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide

C16H26N4O3 — CID 154765252

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide
SMILESCCOCC1CN(C(=O)NC(c2nccn2C)C2CC2)CCO1
InChIInChI=1S/C16H26N4O3/c1-3-22-11-13-10-20(8-9-23-13)16(21)18-14(12-4-5-12)15-17-6-7-19(15)2/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,18,21)
InChIKeyHRWJQTNTQAXNFQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.32
Rot. Bonds6

About N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide (PubChem CID 154765252) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide
PubChem CID154765252
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide
SMILESCCOCC1CN(C(=O)NC(c2nccn2C)C2CC2)CCO1
InChIInChI=1S/C16H26N4O3/c1-3-22-11-13-10-20(8-9-23-13)16(21)18-14(12-4-5-12)15-17-6-7-19(15)2/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,18,21)
InChIKeyHRWJQTNTQAXNFQ-UHFFFAOYSA-N
XLogP1.32
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide
CID 122570563
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136555325
(2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97097725
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
CID 154736963
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988102
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110246266

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide (CID 154765252) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide is CCOCC1CN(C(=O)NC(c2nccn2C)C2CC2)CCO1.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide?
The InChIKey is HRWJQTNTQAXNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-22-11-13-10-20(8-9-23-13)16(21)18-14(12-4-5-12)15-17-6-7-19(15)2/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,18,21).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 154765252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).