N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide

C24H31N3O4 — CID 17341352

IUPACN-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(NC(=O)CC(C)C)c1
InChIInChI=1S/C24H31N3O4/c1-15(2)12-22(28)25-18-8-6-17(7-9-18)24(30)27-20-11-10-19(31-5)14-21(20)26-23(29)13-16(3)4/h6-11,14-16H,12-13H2,1-5H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyZINRPESAASUZER-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.92
Rot. Bonds9

About N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide

N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide (PubChem CID 17341352) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide
PubChem CID17341352
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(NC(=O)CC(C)C)c1
InChIInChI=1S/C24H31N3O4/c1-15(2)12-22(28)25-18-8-6-17(7-9-18)24(30)27-20-11-10-19(31-5)14-21(20)26-23(29)13-16(3)4/h6-11,14-16H,12-13H2,1-5H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyZINRPESAASUZER-UHFFFAOYSA-N
XLogP4.92
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide
CID 39194039
N-(2,5-dimethoxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119475
3,4-bis(3-methylbutanoylamino)benzoic acid
CID 5099816
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7988018
(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323922
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide (CID 17341352) is N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(NC(=O)CC(C)C)c1.
What is the InChIKey of N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide?
The InChIKey is ZINRPESAASUZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-15(2)12-22(28)25-18-8-6-17(7-9-18)24(30)27-20-11-10-19(31-5)14-21(20)26-23(29)13-16(3)4/h6-11,14-16H,12-13H2,1-5H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide?
N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide has a molecular weight of 425.53 g/mol, XLogP of 4.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 17341352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).