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

C20H30ClN3O3 — CID 120927027

IUPAC(2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-14-18(21-12-13-26-14)19(24)22-16-10-8-15(9-11-16)20(25)23(2)17-6-4-3-5-7-17;/h8-11,14,17-18,21H,3-7,12-13H2,1-2H3,(H,22,24);1H/t14-,18+;/m1./s1
InChIKeyKNPYBHIBODWJIP-CQZNTPMBSA-N
MW395.93 g/mol
LogP2.83
Rot. Bonds4

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

(2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120927027) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is (2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120927027
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name(2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-14-18(21-12-13-26-14)19(24)22-16-10-8-15(9-11-16)20(25)23(2)17-6-4-3-5-7-17;/h8-11,14,17-18,21H,3-7,12-13H2,1-2H3,(H,22,24);1H/t14-,18+;/m1./s1
InChIKeyKNPYBHIBODWJIP-CQZNTPMBSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522
(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)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510
(2R,3S)-N-[2-[cyclohexyl(methyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120939245
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(2R,3S)-N-cyclopentyl-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920305
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide
CID 120934412
(2R,3S)-N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925642
(2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120926979

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120927027) is (2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is KNPYBHIBODWJIP-CQZNTPMBSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-14-18(21-12-13-26-14)19(24)22-16-10-8-15(9-11-16)20(25)23(2)17-6-4-3-5-7-17;/h8-11,14,17-18,21H,3-7,12-13H2,1-2H3,(H,22,24);1H/t14-,18+;/m1./s1.
What are the key properties of (2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120927027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).