2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide

C26H30N4O3 — CID 3649958

IUPAC2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)CNCC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C26H30N4O3/c1-30(2)24(19-9-5-4-6-10-19)17-27-18-25(31)29-23-12-8-7-11-22(23)26(32)28-20-13-15-21(33-3)16-14-20/h4-16,24,27H,17-18H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyFTJRVCQXQVWUKI-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.78
Rot. Bonds10

About 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide

2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 3649958) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID3649958
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)CNCC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C26H30N4O3/c1-30(2)24(19-9-5-4-6-10-19)17-27-18-25(31)29-23-12-8-7-11-22(23)26(32)28-20-13-15-21(33-3)16-14-20/h4-16,24,27H,17-18H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyFTJRVCQXQVWUKI-UHFFFAOYSA-N
XLogP3.78
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 25387377
N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
CID 2108162
2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105472
N-(4-methoxyphenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 2975281
2-[(4-amino-3-methoxybutanoyl)amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120586728
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-(4-methoxyphenyl)-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 9434073
N-(4-methoxyphenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 2975011
N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
CID 2101756

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide (CID 3649958) is 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NC(=O)CNCC(c2ccccc2)N(C)C)cc1.
What is the InChIKey of 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is FTJRVCQXQVWUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-30(2)24(19-9-5-4-6-10-19)17-27-18-25(31)29-23-12-8-7-11-22(23)26(32)28-20-13-15-21(33-3)16-14-20/h4-16,24,27H,17-18H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 446.55 g/mol, XLogP of 3.78, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 3649958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).