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

C15H24F2N4O2 — CID 95905055

IUPAC(3S)-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-/m0/s1
InChIKeyBCBPXNHKVQUWPK-LBPRGKRZSA-N
MW330.38 g/mol
LogP2.28
Rot. Bonds6

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

(3S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide (PubChem CID 95905055) has the molecular formula C15H24F2N4O2 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
PubChem CID95905055
Molecular FormulaC15H24F2N4O2
Molecular Weight330.38 g/mol
Exact Mass330.19
IUPAC Name(3S)-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-/m0/s1
InChIKeyBCBPXNHKVQUWPK-LBPRGKRZSA-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

Analyze (3S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The IUPAC name of (3S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide (CID 95905055) is (3S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-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 (3S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The InChIKey is BCBPXNHKVQUWPK-LBPRGKRZSA-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-/m0/s1.
What are the key properties of (3S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
(3S)-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 (3S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 95905055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).