4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide

C22H28N2O3 — CID 2940925

IUPAC4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-17(2)27-21-10-6-19(7-11-21)22(25)23-20-8-4-18(5-9-20)16-24-12-14-26-15-13-24/h4-11,17H,3,12-16H2,1-2H3,(H,23,25)
InChIKeyNTQLRWWGZMZTIV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.95
Rot. Bonds7

About 4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide

4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (PubChem CID 2940925) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
PubChem CID2940925
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-17(2)27-21-10-6-19(7-11-21)22(25)23-20-8-4-18(5-9-20)16-24-12-14-26-15-13-24/h4-11,17H,3,12-16H2,1-2H3,(H,23,25)
InChIKeyNTQLRWWGZMZTIV-UHFFFAOYSA-N
XLogP3.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6958043
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 43913710
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 38097965
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 979170

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (CID 2940925) is 4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide is CCC(C)Oc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The InChIKey is NTQLRWWGZMZTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-17(2)27-21-10-6-19(7-11-21)22(25)23-20-8-4-18(5-9-20)16-24-12-14-26-15-13-24/h4-11,17H,3,12-16H2,1-2H3,(H,23,25).
What are the key properties of 4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 2940925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).