N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide

C17H28N4O2 — CID 122570563

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide
SMILESCCC1(CC)CN(C(=O)NC(c2nccn2C)C2CC2)CCO1
InChIInChI=1S/C17H28N4O2/c1-4-17(5-2)12-21(10-11-23-17)16(22)19-14(13-6-7-13)15-18-8-9-20(15)3/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,22)
InChIKeyHZWNSBMWXUFUFA-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.47
Rot. Bonds5

About N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide (PubChem CID 122570563) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide
PubChem CID122570563
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide
SMILESCCC1(CC)CN(C(=O)NC(c2nccn2C)C2CC2)CCO1
InChIInChI=1S/C17H28N4O2/c1-4-17(5-2)12-21(10-11-23-17)16(22)19-14(13-6-7-13)15-18-8-9-20(15)3/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,22)
InChIKeyHZWNSBMWXUFUFA-UHFFFAOYSA-N
XLogP2.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide
CID 154765252
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
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-acetyl-3,5-dimethylpyrazol-1-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 91779408
4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide
CID 126448585
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 128988058
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
CID 95220953

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide (CID 122570563) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide is CCC1(CC)CN(C(=O)NC(c2nccn2C)C2CC2)CCO1.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide?
The InChIKey is HZWNSBMWXUFUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-17(5-2)12-21(10-11-23-17)16(22)19-14(13-6-7-13)15-18-8-9-20(15)3/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,22).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide is sourced from PubChem (CID 122570563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).