4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide

C20H25N3O3 — CID 54840266

IUPAC4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(CNC(=O)CNc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)23-20(25)16-6-8-17(9-7-16)21-13-19(24)22-12-15-4-10-18(26-3)11-5-15/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUTIFKHOLIWKFJY-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.56
Rot. Bonds8

About 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide

4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54840266) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54840266
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(CNC(=O)CNc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)23-20(25)16-6-8-17(9-7-16)21-13-19(24)22-12-15-4-10-18(26-3)11-5-15/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUTIFKHOLIWKFJY-UHFFFAOYSA-N
XLogP2.56
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54840298
N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54836212
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54837767
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54835007
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840232
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
N-ethyl-4-[(4-methoxyphenyl)methylamino]benzamide
CID 43728493
4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide
CID 175213138
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 108998649

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide (CID 54840266) is 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide is COc1ccc(CNC(=O)CNc2ccc(C(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is UTIFKHOLIWKFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)23-20(25)16-6-8-17(9-7-16)21-13-19(24)22-12-15-4-10-18(26-3)11-5-15/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54840266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).