2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

C26H35N3O4 — CID 55979600

IUPAC2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1CN1CCC(NC(=O)C(NC(=O)c2ccccc2OC)C(C)C)CC1
InChIInChI=1S/C26H35N3O4/c1-18(2)24(28-25(30)21-10-6-8-12-23(21)33-4)26(31)27-20-13-15-29(16-14-20)17-19-9-5-7-11-22(19)32-3/h5-12,18,20,24H,13-17H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyINNJLUVVHQPVDN-UHFFFAOYSA-N
MW453.58 g/mol
LogP3.24
Rot. Bonds9

About 2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 55979600) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID55979600
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Name2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1CN1CCC(NC(=O)C(NC(=O)c2ccccc2OC)C(C)C)CC1
InChIInChI=1S/C26H35N3O4/c1-18(2)24(28-25(30)21-10-6-8-12-23(21)33-4)26(31)27-20-13-15-29(16-14-20)17-19-9-5-7-11-22(19)32-3/h5-12,18,20,24H,13-17H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyINNJLUVVHQPVDN-UHFFFAOYSA-N
XLogP3.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969
cis-(1R,3S)-3-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120679021
N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55634046
N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 42910422
N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 112772360
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8563198
4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 121498652
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119600529
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55979355

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 55979600) is 2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccccc1CN1CCC(NC(=O)C(NC(=O)c2ccccc2OC)C(C)C)CC1.
What is the InChIKey of 2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is INNJLUVVHQPVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-18(2)24(28-25(30)21-10-6-8-12-23(21)33-4)26(31)27-20-13-15-29(16-14-20)17-19-9-5-7-11-22(19)32-3/h5-12,18,20,24H,13-17H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of 2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 453.58 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55979600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).