N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

C23H36N2O4 — CID 86971626

IUPACN-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCC2CCCOC2C(C)(C)C)C(C)C)cc1
InChIInChI=1S/C23H36N2O4/c1-15(2)19(25-21(26)16-9-11-18(28-6)12-10-16)22(27)24-14-17-8-7-13-29-20(17)23(3,4)5/h9-12,15,17,19-20H,7-8,13-14H2,1-6H3,(H,24,27)(H,25,26)
InChIKeyFKWUTWDXXSJKMQ-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.41
Rot. Bonds7

About N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (PubChem CID 86971626) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
PubChem CID86971626
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC NameN-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCC2CCCOC2C(C)(C)C)C(C)C)cc1
InChIInChI=1S/C23H36N2O4/c1-15(2)19(25-21(26)16-9-11-18(28-6)12-10-16)22(27)24-14-17-8-7-13-29-20(17)23(3,4)5/h9-12,15,17,19-20H,7-8,13-14H2,1-6H3,(H,24,27)(H,25,26)
InChIKeyFKWUTWDXXSJKMQ-UHFFFAOYSA-N
XLogP3.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]benzamide;hydrochloride
CID 119511819
4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
CID 119461802
4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide
CID 17473370
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide
CID 55713355
4-tert-butyl-N-[3-methyl-1-oxo-1-(oxolan-3-ylmethylamino)butan-2-yl]benzamide
CID 55659359
4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221501
N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide
CID 119135959
4-methoxy-N-[(2S)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxobutan-2-yl]benzamide
CID 9472900
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (CID 86971626) is N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C(=O)NCC2CCCOC2C(C)(C)C)C(C)C)cc1.
What is the InChIKey of N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The InChIKey is FKWUTWDXXSJKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4/c1-15(2)19(25-21(26)16-9-11-18(28-6)12-10-16)22(27)24-14-17-8-7-13-29-20(17)23(3,4)5/h9-12,15,17,19-20H,7-8,13-14H2,1-6H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide has a molecular weight of 404.55 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 86971626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).