3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

C22H26N2O4 — CID 17149777

IUPAC3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N2O4/c1-3-16(2)28-18-8-6-7-17(15-18)21(25)23-20-10-5-4-9-19(20)22(26)24-11-13-27-14-12-24/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,25)
InChIKeyJAWHQLRUHDMBJZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.59
Rot. Bonds6

About 3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 17149777) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID17149777
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N2O4/c1-3-16(2)28-18-8-6-7-17(15-18)21(25)23-20-10-5-4-9-19(20)22(26)24-11-13-27-14-12-24/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,25)
InChIKeyJAWHQLRUHDMBJZ-UHFFFAOYSA-N
XLogP3.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yloxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17150087
3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 4957459
3-butan-2-yloxy-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17150093
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17141296
2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284266
(2R)-2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 92672077
3-butoxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 4957109
N-[2-(morpholine-4-carbonyl)phenyl]-4-phenoxybenzamide
CID 35325582
2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17149781
ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate
CID 43913387
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 38097553

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (CID 17149777) is 3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is CCC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is JAWHQLRUHDMBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-16(2)28-18-8-6-7-17(15-18)21(25)23-20-10-5-4-9-19(20)22(26)24-11-13-27-14-12-24/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,25).
What are the key properties of 3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17149777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).