(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide

C15H22N4O3 — CID 120924044

IUPAC(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H22N4O3/c1-9(11-3-5-12(6-4-11)19-15(16)21)18-14(20)13-10(2)22-8-7-17-13/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,18,20)(H3,16,19,21)/t9?,10-,13+/m1/s1
InChIKeyIFYWATXVVZNJOY-BGLCMPESSA-N
MW306.37 g/mol
LogP0.73
Rot. Bonds4

About (2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120924044) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120924044
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H22N4O3/c1-9(11-3-5-12(6-4-11)19-15(16)21)18-14(20)13-10(2)22-8-7-17-13/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,18,20)(H3,16,19,21)/t9?,10-,13+/m1/s1
InChIKeyIFYWATXVVZNJOY-BGLCMPESSA-N
XLogP0.73
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide (CID 120924044) is (2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide is CC(NC(=O)[C@H]1NCCO[C@@H]1C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of (2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is IFYWATXVVZNJOY-BGLCMPESSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(11-3-5-12(6-4-11)19-15(16)21)18-14(20)13-10(2)22-8-7-17-13/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,18,20)(H3,16,19,21)/t9?,10-,13+/m1/s1.
What are the key properties of (2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120924044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).