(3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide

C15H24F2N4O2 — CID 95905054

IUPAC(3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCC(C)C[C@@H]1COCCN1C(=O)NCCc1nccn1C(F)F
InChIInChI=1S/C15H24F2N4O2/c1-11(2)9-12-10-23-8-7-20(12)15(22)19-4-3-13-18-5-6-21(13)14(16)17/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyBCBPXNHKVQUWPK-GFCCVEGCSA-N
MW330.38 g/mol
LogP2.28
Rot. Bonds6

About (3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide

(3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide (PubChem CID 95905054) has the molecular formula C15H24F2N4O2 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
PubChem CID95905054
Molecular FormulaC15H24F2N4O2
Molecular Weight330.38 g/mol
Exact Mass330.19
IUPAC Name(3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCC(C)C[C@@H]1COCCN1C(=O)NCCc1nccn1C(F)F
InChIInChI=1S/C15H24F2N4O2/c1-11(2)9-12-10-23-8-7-20(12)15(22)19-4-3-13-18-5-6-21(13)14(16)17/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyBCBPXNHKVQUWPK-GFCCVEGCSA-N
XLogP2.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868060
3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 71868069
N-(2-imidazol-1-ylethyl)-3-methylmorpholine-4-carboxamide
CID 71894039
N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide
CID 71894161
1,1-Dimethyl-3-[8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739795
3-{2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl}morpholine
CID 72847432
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-methylpiperidine-1-carboxamide
CID 53595552
2,2-difluoro-N-(2-{4-[(1-isopropyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}ethyl)acetamide
CID 56739423
2,2-difluoro-N-({1-[(1-propyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}methyl)acetamide
CID 56753573
[(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-piperidinyl)methyl]methylamine dihydrochloride
CID 74247070
N-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)acetamide
CID 77086954
2-(3-methylbutoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772181

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide (CID 95905054) is (3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide is CC(C)C[C@@H]1COCCN1C(=O)NCCc1nccn1C(F)F.
What is the InChIKey of (3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The InChIKey is BCBPXNHKVQUWPK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24F2N4O2/c1-11(2)9-12-10-23-8-7-20(12)15(22)19-4-3-13-18-5-6-21(13)14(16)17/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
(3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 95905054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).