(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C16H22ClN3O3 — CID 120920522

IUPAC(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-10-14(17-8-9-22-10)16(21)19-12-4-2-11(3-5-12)15(20)18-13-6-7-13;/h2-5,10,13-14,17H,6-9H2,1H3,(H,18,20)(H,19,21);1H/t10-,14+;/m1./s1
InChIKeyPNJGVELHLJTQIX-LOSLGVLSSA-N
MW339.82 g/mol
LogP1.32
Rot. Bonds4

About (2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120920522) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is (2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120920522
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-10-14(17-8-9-22-10)16(21)19-12-4-2-11(3-5-12)15(20)18-13-6-7-13;/h2-5,10,13-14,17H,6-9H2,1H3,(H,18,20)(H,19,21);1H/t10-,14+;/m1./s1
InChIKeyPNJGVELHLJTQIX-LOSLGVLSSA-N
XLogP1.32
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120926979
(2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120927027
ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate
CID 120935486
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120923570
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120920522) is (2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is PNJGVELHLJTQIX-LOSLGVLSSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c1-10-14(17-8-9-22-10)16(21)19-12-4-2-11(3-5-12)15(20)18-13-6-7-13;/h2-5,10,13-14,17H,6-9H2,1H3,(H,18,20)(H,19,21);1H/t10-,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120920522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).