4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide

C22H34N2O4 — CID 86900050

IUPAC4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide
SMILESCCCOC1CCCN(C(=O)C(NC(=O)c2ccc(OC)cc2)C(C)C)CC1
InChIInChI=1S/C22H34N2O4/c1-5-15-28-19-7-6-13-24(14-12-19)22(26)20(16(2)3)23-21(25)17-8-10-18(27-4)11-9-17/h8-11,16,19-20H,5-7,12-15H2,1-4H3,(H,23,25)
InChIKeyNKQQFEOVJLVRBS-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.26
Rot. Bonds8

About 4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide (PubChem CID 86900050) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide
PubChem CID86900050
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide
SMILESCCCOC1CCCN(C(=O)C(NC(=O)c2ccc(OC)cc2)C(C)C)CC1
InChIInChI=1S/C22H34N2O4/c1-5-15-28-19-7-6-13-24(14-12-19)22(26)20(16(2)3)23-21(25)17-8-10-18(27-4)11-9-17/h8-11,16,19-20H,5-7,12-15H2,1-4H3,(H,23,25)
InChIKeyNKQQFEOVJLVRBS-UHFFFAOYSA-N
XLogP3.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119623179
ethyl 4-[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]piperazine-1-carboxylate
CID 40742327
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 119662801
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119416007
N-[(2S)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7765651
4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93197361
3,5-dimethoxy-N-[(2S)-3-methyl-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 33235124
(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
CID 119321485
4-chloro-N-[1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55918148
N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 25473963
4-methoxy-N-[3-methyl-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 60552904

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide (CID 86900050) is 4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide is CCCOC1CCCN(C(=O)C(NC(=O)c2ccc(OC)cc2)C(C)C)CC1.
What is the InChIKey of 4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide?
The InChIKey is NKQQFEOVJLVRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-5-15-28-19-7-6-13-24(14-12-19)22(26)20(16(2)3)23-21(25)17-8-10-18(27-4)11-9-17/h8-11,16,19-20H,5-7,12-15H2,1-4H3,(H,23,25).
What are the key properties of 4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide?
4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide has a molecular weight of 390.52 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-1-oxo-1-(4-propoxyazepan-1-yl)butan-2-yl]benzamide is sourced from PubChem (CID 86900050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).