(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide

C16H23N3O3 — CID 120926510

IUPAC(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C16H23N3O3/c1-10(2)18-15(20)12-4-6-13(7-5-12)19-16(21)14-11(3)22-9-8-17-14/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,18,20)(H,19,21)/t11-,14+/m1/s1
InChIKeyMKYFULMWIPKEJA-RISCZKNCSA-N
MW305.38 g/mol
LogP1.14
Rot. Bonds4

About (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide (PubChem CID 120926510) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
PubChem CID120926510
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C16H23N3O3/c1-10(2)18-15(20)12-4-6-13(7-5-12)19-16(21)14-11(3)22-9-8-17-14/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,18,20)(H,19,21)/t11-,14+/m1/s1
InChIKeyMKYFULMWIPKEJA-RISCZKNCSA-N
XLogP1.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate
CID 120935486
(2R,3S)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
(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)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
(2R,3S)-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120927027
(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120923570
(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120924044

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide (CID 120926510) is (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide is CC(C)NC(=O)c1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1.
What is the InChIKey of (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide?
The InChIKey is MKYFULMWIPKEJA-RISCZKNCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(2)18-15(20)12-4-6-13(7-5-12)19-16(21)14-11(3)22-9-8-17-14/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,18,20)(H,19,21)/t11-,14+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 120926510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).