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

C16H24N4O3 — CID 120921411

IUPAC(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C16H24N4O3/c1-10(2)18-16(22)20-13-6-4-12(5-7-13)19-15(21)14-11(3)23-9-8-17-14/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,19,21)(H2,18,20,22)/t11-,14+/m1/s1
InChIKeyUTOFTNAVDDFHCX-RISCZKNCSA-N
MW320.39 g/mol
LogP1.53
Rot. Bonds4

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

(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide (PubChem CID 120921411) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
PubChem CID120921411
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C16H24N4O3/c1-10(2)18-16(22)20-13-6-4-12(5-7-13)19-15(21)14-11(3)23-9-8-17-14/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,19,21)(H2,18,20,22)/t11-,14+/m1/s1
InChIKeyUTOFTNAVDDFHCX-RISCZKNCSA-N
XLogP1.53
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.53
H-Bond Donors ≤ 54
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)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
(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)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120924044
ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate
CID 120935486
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522
(2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120920707

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide (CID 120921411) is (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide is CC(C)NC(=O)Nc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1.
What is the InChIKey of (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide?
The InChIKey is UTOFTNAVDDFHCX-RISCZKNCSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10(2)18-16(22)20-13-6-4-12(5-7-13)19-15(21)14-11(3)23-9-8-17-14/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,19,21)(H2,18,20,22)/t11-,14+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 4 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-ylcarbamoylamino)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 120921411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).