2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide

C23H32N4O3 — CID 60577692

IUPAC2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
SMILESCc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C23H32N4O3/c1-18-11-12-20(21(15-18)30-17-22(28)26(4)5)24-23(29)27(14-13-25(2)3)16-19-9-7-6-8-10-19/h6-12,15H,13-14,16-17H2,1-5H3,(H,24,29)
InChIKeyVWJILLZHEKYULH-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.06
Rot. Bonds9

About 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide

2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide (PubChem CID 60577692) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
PubChem CID60577692
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
SMILESCc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C23H32N4O3/c1-18-11-12-20(21(15-18)30-17-22(28)26(4)5)24-23(29)27(14-13-25(2)3)16-19-9-7-6-8-10-19/h6-12,15H,13-14,16-17H2,1-5H3,(H,24,29)
InChIKeyVWJILLZHEKYULH-UHFFFAOYSA-N
XLogP3.06
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577554
2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577691
3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60543557
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
CID 87039915
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455
cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106643
2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 110006577
(2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94647418
1-[2-(dimethylamino)ethyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009032
1-benzyl-3-(2,4-dimethylphenyl)-1-undecylurea
CID 15137562
1-benzyl-3-(2,4-dimethylphenyl)-1-octadecylurea
CID 154191574
(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide
CID 52506239

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide (CID 60577692) is 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide is Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)c(OCC(=O)N(C)C)c1.
What is the InChIKey of 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide?
The InChIKey is VWJILLZHEKYULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-18-11-12-20(21(15-18)30-17-22(28)26(4)5)24-23(29)27(14-13-25(2)3)16-19-9-7-6-8-10-19/h6-12,15H,13-14,16-17H2,1-5H3,(H,24,29).
What are the key properties of 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide?
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide has a molecular weight of 412.53 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 60577692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).