N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide

C22H34N4O4 — CID 1189516

IUPACN-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide
SMILESCC(C)(NC(=O)N1CCOCC1)c1cccc(C(C)(C)NC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H34N4O4/c1-21(2,23-19(27)25-8-12-29-13-9-25)17-6-5-7-18(16-17)22(3,4)24-20(28)26-10-14-30-15-11-26/h5-7,16H,8-15H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyUEGWFDMCEAIRSE-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.24
Rot. Bonds4

About N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide

N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide (PubChem CID 1189516) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide
PubChem CID1189516
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC NameN-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide
SMILESCC(C)(NC(=O)N1CCOCC1)c1cccc(C(C)(C)NC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H34N4O4/c1-21(2,23-19(27)25-8-12-29-13-9-25)17-6-5-7-18(16-17)22(3,4)24-20(28)26-10-14-30-15-11-26/h5-7,16H,8-15H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyUEGWFDMCEAIRSE-UHFFFAOYSA-N
XLogP2.24
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(diphenylmethyl)morpholin-4-ylcarboxamide
CID 1538456
1-Methyl-1-(1-methylpiperidin-4-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 808435
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
N-[1-(3-isopropenylphenyl)-1-methylethyl]-2,6-dimethyl-4-morpholinecarboxamide
CID 2883152
2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 4072352
1-(1,4-Dioxan-2-ylmethyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
CID 2902662
Ethyl 4-((2-(3-(prop-1-en-2-yl)phenyl)propan-2-yl)carbamoyl)piperazine-1-carboxylate
CID 1084712
4-[(E)-3-phenylprop-2-enyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 1976855
N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)morpholine-4-carboxamide
CID 121661890
4-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 753415
(4-Benzyl-piperazin-1-yl)-morpholin-4-yl-methanone
CID 651117
N-[1-(Morpholine-4-carbonyl)-4-phenyl-piperidin-4-yl]-acetamide
CID 655255

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide (CID 1189516) is N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide is CC(C)(NC(=O)N1CCOCC1)c1cccc(C(C)(C)NC(=O)N2CCOCC2)c1.
What is the InChIKey of N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide?
The InChIKey is UEGWFDMCEAIRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-21(2,23-19(27)25-8-12-29-13-9-25)17-6-5-7-18(16-17)22(3,4)24-20(28)26-10-14-30-15-11-26/h5-7,16H,8-15H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide?
N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(morpholine-4-carbonylamino)propan-2-yl]phenyl]propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 1189516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).