N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide

C17H26N2O2 — CID 133244954

IUPACN-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(2)14(3)18-17(20)16-6-4-15(5-7-16)12-19-8-10-21-11-9-19/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)
InChIKeyVKBUHCIWKNOGSC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.29
Rot. Bonds5

About N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide

N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 133244954) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
PubChem CID133244954
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(2)14(3)18-17(20)16-6-4-15(5-7-16)12-19-8-10-21-11-9-19/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)
InChIKeyVKBUHCIWKNOGSC-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768690
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 94013989
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide
CID 158328594
(2S,3R)-3-hydroxy-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]sulfanylbenzoyl]amino]butanoic acid
CID 141486427
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 92677739
N-[3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-[4-(morpholin-4-ylmethyl)phenyl]piperazin-1-yl]benzamide
CID 91504815
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide (CID 133244954) is N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide is CC(C)C(C)NC(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is VKBUHCIWKNOGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)14(3)18-17(20)16-6-4-15(5-7-16)12-19-8-10-21-11-9-19/h4-7,13-14H,8-12H2,1-3H3,(H,18,20).
What are the key properties of N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide?
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 133244954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).