N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C20H25N3O3 — CID 51316830

IUPACN-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(CNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)cn1
InChIInChI=1S/C20H25N3O3/c1-13(2)18(23-19(24)16-7-5-6-14(3)10-16)20(25)22-12-15-8-9-17(26-4)21-11-15/h5-11,13,18H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyIEZFELCNHNNCBN-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.47
Rot. Bonds7

About N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 51316830) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID51316830
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(CNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)cn1
InChIInChI=1S/C20H25N3O3/c1-13(2)18(23-19(24)16-7-5-6-14(3)10-16)20(25)22-12-15-8-9-17(26-4)21-11-15/h5-11,13,18H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyIEZFELCNHNNCBN-UHFFFAOYSA-N
XLogP2.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-methoxy-4-propoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46425068
N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46419166
N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134023152
3-methyl-N-[3-methyl-1-oxo-1-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 46699905
N-[1-[(3-amino-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119997662
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073
N-[1-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46478671
N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46476036
4-fluoro-N-[1-[(2-methoxy-4-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55540257
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 51316830) is N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is COc1ccc(CNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)cn1.
What is the InChIKey of N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is IEZFELCNHNNCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(2)18(23-19(24)16-7-5-6-14(3)10-16)20(25)22-12-15-8-9-17(26-4)21-11-15/h5-11,13,18H,12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 51316830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).