4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide

C22H29N3O3 — CID 54840298

IUPAC4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)25-22(27)18-7-9-19(10-8-18)23-14-21(26)24-13-17-5-11-20(12-6-17)28-16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyZSLNFCPVKZYFAW-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.34
Rot. Bonds9

About 4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide

4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54840298) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54840298
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)25-22(27)18-7-9-19(10-8-18)23-14-21(26)24-13-17-5-11-20(12-6-17)28-16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyZSLNFCPVKZYFAW-UHFFFAOYSA-N
XLogP3.34
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54820264
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54830400
2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54831154
N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54836212
4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840232
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate
CID 47033094

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide (CID 54840298) is 4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NCC(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is ZSLNFCPVKZYFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)25-22(27)18-7-9-19(10-8-18)23-14-21(26)24-13-17-5-11-20(12-6-17)28-16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide?
4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 383.49 g/mol, XLogP of 3.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54840298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).