N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

C24H33N3O3 — CID 55328675

IUPACN-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCOc1ccc(C(CNC(=O)C(NC(=O)c2ccccc2C)C(C)C)N(C)C)cc1
InChIInChI=1S/C24H33N3O3/c1-16(2)22(26-23(28)20-10-8-7-9-17(20)3)24(29)25-15-21(27(4)5)18-11-13-19(30-6)14-12-18/h7-14,16,21-22H,15H2,1-6H3,(H,25,29)(H,26,28)
InChIKeyCIVCKNNISRWAKS-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.18
Rot. Bonds9

About N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (PubChem CID 55328675) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
PubChem CID55328675
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCOc1ccc(C(CNC(=O)C(NC(=O)c2ccccc2C)C(C)C)N(C)C)cc1
InChIInChI=1S/C24H33N3O3/c1-16(2)22(26-23(28)20-10-8-7-9-17(20)3)24(29)25-15-21(27(4)5)18-11-13-19(30-6)14-12-18/h7-14,16,21-22H,15H2,1-6H3,(H,25,29)(H,26,28)
InChIKeyCIVCKNNISRWAKS-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55949349
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 8848727
methyl 4-[[[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]methyl]benzoate
CID 46559699
N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55658200
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 2574368
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60580471

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (CID 55328675) is N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is COc1ccc(C(CNC(=O)C(NC(=O)c2ccccc2C)C(C)C)N(C)C)cc1.
What is the InChIKey of N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The InChIKey is CIVCKNNISRWAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-16(2)22(26-23(28)20-10-8-7-9-17(20)3)24(29)25-15-21(27(4)5)18-11-13-19(30-6)14-12-18/h7-14,16,21-22H,15H2,1-6H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide has a molecular weight of 411.55 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 55328675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).