N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide

C18H26N4O4 — CID 95975366

IUPACN-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C18H26N4O4/c1-12(2)15(17(24)22-8-10-26-11-9-22)21-18(25)20-14-6-4-13(5-7-14)16(23)19-3/h4-7,12,15H,8-11H2,1-3H3,(H,19,23)(H2,20,21,25)/t15-/m0/s1
InChIKeyTUHJPKGHEAFYTG-HNNXBMFYSA-N
MW362.43 g/mol
LogP1.05
Rot. Bonds5

About N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide

N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide (PubChem CID 95975366) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide
PubChem CID95975366
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C18H26N4O4/c1-12(2)15(17(24)22-8-10-26-11-9-22)21-18(25)20-14-6-4-13(5-7-14)16(23)19-3/h4-7,12,15H,8-11H2,1-3H3,(H,19,23)(H2,20,21,25)/t15-/m0/s1
InChIKeyTUHJPKGHEAFYTG-HNNXBMFYSA-N
XLogP1.05
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide?
The IUPAC name of N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide (CID 95975366) is N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide.
What is the SMILES notation for N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide?
The canonical SMILES for N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide is CNC(=O)c1ccc(NC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1.
What is the InChIKey of N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide?
The InChIKey is TUHJPKGHEAFYTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12(2)15(17(24)22-8-10-26-11-9-22)21-18(25)20-14-6-4-13(5-7-14)16(23)19-3/h4-7,12,15H,8-11H2,1-3H3,(H,19,23)(H2,20,21,25)/t15-/m0/s1.
What are the key properties of N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide?
N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide has a molecular weight of 362.43 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide is sourced from PubChem (CID 95975366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).