(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide

C16H20N4O2 — CID 95896960

IUPAC(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide
SMILESCc1nccn1Cc1ccccc1NC(=O)[C@@H]1CNCCO1
InChIInChI=1S/C16H20N4O2/c1-12-18-6-8-20(12)11-13-4-2-3-5-14(13)19-16(21)15-10-17-7-9-22-15/h2-6,8,15,17H,7,9-11H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyCFBZQTBJGQTCKG-HNNXBMFYSA-N
MW300.36 g/mol
LogP1.17
Rot. Bonds4

About (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide

(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide (PubChem CID 95896960) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide
PubChem CID95896960
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide
SMILESCc1nccn1Cc1ccccc1NC(=O)[C@@H]1CNCCO1
InChIInChI=1S/C16H20N4O2/c1-12-18-6-8-20(12)11-13-4-2-3-5-14(13)19-16(21)15-10-17-7-9-22-15/h2-6,8,15,17H,7,9-11H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyCFBZQTBJGQTCKG-HNNXBMFYSA-N
XLogP1.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119852924
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide
CID 131930636
N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119801569
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide
CID 119870111
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 131925378
N-[2-(2-imidazol-1-ylethoxy)phenyl]morpholine-2-carboxamide
CID 119862204
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 131899424
N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide
CID 119736053
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
CID 119810610

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide (CID 95896960) is (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide is Cc1nccn1Cc1ccccc1NC(=O)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide?
The InChIKey is CFBZQTBJGQTCKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-18-6-8-20(12)11-13-4-2-3-5-14(13)19-16(21)15-10-17-7-9-22-15/h2-6,8,15,17H,7,9-11H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide?
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 95896960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).