4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide

C22H34N2O3 — CID 56892729

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCC2(N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C22H34N2O3/c1-21(2,26)12-9-18-5-7-19(8-6-18)20(25)23-17-22(10-3-4-11-22)24-13-15-27-16-14-24/h5-8,26H,3-4,9-17H2,1-2H3,(H,23,25)
InChIKeySXAMWPWTBLAJOZ-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.76
Rot. Bonds7

About 4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide

4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide (PubChem CID 56892729) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
PubChem CID56892729
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCC2(N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C22H34N2O3/c1-21(2,26)12-9-18-5-7-19(8-6-18)20(25)23-17-22(10-3-4-11-22)24-13-15-27-16-14-24/h5-8,26H,3-4,9-17H2,1-2H3,(H,23,25)
InChIKeySXAMWPWTBLAJOZ-UHFFFAOYSA-N
XLogP2.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 39429392
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18148355
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 8502045
N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9405434
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 34949414
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74245566
5-(methoxymethyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 78827478

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide (CID 56892729) is 4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide is CC(C)(O)CCc1ccc(C(=O)NCC2(N3CCOCC3)CCCC2)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide?
The InChIKey is SXAMWPWTBLAJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-21(2,26)12-9-18-5-7-19(8-6-18)20(25)23-17-22(10-3-4-11-22)24-13-15-27-16-14-24/h5-8,26H,3-4,9-17H2,1-2H3,(H,23,25).
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide?
4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide has a molecular weight of 374.53 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 56892729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).