N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

C27H34N4O4 — CID 46469682

IUPACN-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)C(C)C)c1
InChIInChI=1S/C27H34N4O4/c1-17(2)25(29-26(32)21-14-23(34-5)16-24(15-21)35-6)27(33)28-12-11-20-7-9-22(10-8-20)31-19(4)13-18(3)30-31/h7-10,13-17,25H,11-12H2,1-6H3,(H,28,33)(H,29,32)
InChIKeyPAUVSTDAOKKNMI-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.62
Rot. Bonds10

About N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (PubChem CID 46469682) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
PubChem CID46469682
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC NameN-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)C(C)C)c1
InChIInChI=1S/C27H34N4O4/c1-17(2)25(29-26(32)21-14-23(34-5)16-24(15-21)35-6)27(33)28-12-11-20-7-9-22(10-8-20)31-19(4)13-18(3)30-31/h7-10,13-17,25H,11-12H2,1-6H3,(H,28,33)(H,29,32)
InChIKeyPAUVSTDAOKKNMI-UHFFFAOYSA-N
XLogP3.62
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 42704068
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
N-[1-[3-(4-chlorophenyl)propylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 60612832
3,5-dimethoxy-N-[(2R)-1-[2-[(4-methoxyphenyl)methoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 97256102
4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157888
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55707132
4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 27990683
N-[1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55800621
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 51143667
2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 46466389
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 46476246
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55707299

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (CID 46469682) is N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)C(C)C)c1.
What is the InChIKey of N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is PAUVSTDAOKKNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-17(2)25(29-26(32)21-14-23(34-5)16-24(15-21)35-6)27(33)28-12-11-20-7-9-22(10-8-20)31-19(4)13-18(3)30-31/h7-10,13-17,25H,11-12H2,1-6H3,(H,28,33)(H,29,32).
What are the key properties of N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 478.59 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 46469682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).