3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide

C20H25N3O2 — CID 54833812

IUPAC3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-14(2)22-20(25)17-10-7-11-18(12-17)21-13-19(24)23-15(3)16-8-5-4-6-9-16/h4-12,14-15,21H,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKRDPNBFGZJZPDV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.11
Rot. Bonds7

About 3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide

3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54833812) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54833812
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-14(2)22-20(25)17-10-7-11-18(12-17)21-13-19(24)23-15(3)16-8-5-4-6-9-16/h4-12,14-15,21H,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKRDPNBFGZJZPDV-UHFFFAOYSA-N
XLogP3.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-(1-phenylethylamino)-N-propan-2-ylbenzamide
CID 43693971
N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54840957
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842146
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841883
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54836830
2-(3-methoxyanilino)-N-(1-phenylethyl)acetamide
CID 54814569
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide (CID 54833812) is 3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NCC(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is KRDPNBFGZJZPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)22-20(25)17-10-7-11-18(12-17)21-13-19(24)23-15(3)16-8-5-4-6-9-16/h4-12,14-15,21H,13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide?
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54833812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).