N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C23H30N2O4 — CID 55580663

IUPACN-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)c(OC)c1
InChIInChI=1S/C23H30N2O4/c1-14(2)21(25-22(26)17-9-7-8-15(3)12-17)23(27)24-16(4)19-11-10-18(28-5)13-20(19)29-6/h7-14,16,21H,1-6H3,(H,24,27)(H,25,26)
InChIKeyQRWIUZAHYJGVND-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.64
Rot. Bonds8

About N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 55580663) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID55580663
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)c(OC)c1
InChIInChI=1S/C23H30N2O4/c1-14(2)21(25-22(26)17-9-7-8-15(3)12-17)23(27)24-16(4)19-11-10-18(28-5)13-20(19)29-6/h7-14,16,21H,1-6H3,(H,24,27)(H,25,26)
InChIKeyQRWIUZAHYJGVND-UHFFFAOYSA-N
XLogP3.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 86995853
3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide
CID 112762442
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 134053714
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400
N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 3584827
N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46419166
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 78856876
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 55580663) is N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is COc1ccc(C(C)NC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)c(OC)c1.
What is the InChIKey of N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is QRWIUZAHYJGVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-14(2)21(25-22(26)17-9-7-8-15(3)12-17)23(27)24-16(4)19-11-10-18(28-5)13-20(19)29-6/h7-14,16,21H,1-6H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 398.50 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 55580663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).