N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide

C26H28N4O5 — CID 46466672

IUPACN-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C26H28N4O5/c1-30(2)24(31)17-35-22-14-9-18(15-23(22)34-3)16-27-25(32)19-10-12-21(13-11-19)29-26(33)28-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3,(H,27,32)(H2,28,29,33)
InChIKeyFVHBRLMVHUBDIA-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.74
Rot. Bonds9

About N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide

N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 46466672) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID46466672
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C26H28N4O5/c1-30(2)24(31)17-35-22-14-9-18(15-23(22)34-3)16-27-25(32)19-10-12-21(13-11-19)29-26(33)28-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3,(H,27,32)(H2,28,29,33)
InChIKeyFVHBRLMVHUBDIA-UHFFFAOYSA-N
XLogP3.74
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 55949411
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46470080
N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 4798347
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 46477327
3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide
CID 46477179
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46476680
3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55883350
3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 9470765

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide (CID 46466672) is N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide is COc1cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1OCC(=O)N(C)C.
What is the InChIKey of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is FVHBRLMVHUBDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-30(2)24(31)17-35-22-14-9-18(15-23(22)34-3)16-27-25(32)19-10-12-21(13-11-19)29-26(33)28-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3,(H,27,32)(H2,28,29,33).
What are the key properties of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide?
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 476.53 g/mol, XLogP of 3.74, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 46466672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).