1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide

C20H27N3O4 — CID 55972173

IUPAC1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CCCCC1
InChIInChI=1S/C20H27N3O4/c1-15(24)22-20(8-3-2-4-9-20)19(26)21-17-7-5-6-16(14-17)18(25)23-10-12-27-13-11-23/h5-7,14H,2-4,8-13H2,1H3,(H,21,26)(H,22,24)
InChIKeyDLEBWSREAXUFGP-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.94
Rot. Bonds4

About 1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide

1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 55972173) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide
PubChem CID55972173
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CCCCC1
InChIInChI=1S/C20H27N3O4/c1-15(24)22-20(8-3-2-4-9-20)19(26)21-17-7-5-6-16(14-17)18(25)23-10-12-27-13-11-23/h5-7,14H,2-4,8-13H2,1H3,(H,21,26)(H,22,24)
InChIKeyDLEBWSREAXUFGP-UHFFFAOYSA-N
XLogP1.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283258
2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 43818795
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
N-(3-acetylphenyl)morpholine-4-carbothioamide
CID 19653714
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide (CID 55972173) is 1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide is CC(=O)NC1(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CCCCC1.
What is the InChIKey of 1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is DLEBWSREAXUFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-15(24)22-20(8-3-2-4-9-20)19(26)21-17-7-5-6-16(14-17)18(25)23-10-12-27-13-11-23/h5-7,14H,2-4,8-13H2,1H3,(H,21,26)(H,22,24).
What are the key properties of 1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide?
1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55972173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).