4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide

C28H32N4O3 — CID 54838274

IUPAC4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)cc1)c1ccccc1
InChIInChI=1S/C28H32N4O3/c1-4-32(25-11-6-5-7-12-25)28(35)22-14-16-23(17-15-22)29-20-26(33)30-24-10-8-9-21(19-24)13-18-27(34)31(2)3/h5-12,14-17,19,29H,4,13,18,20H2,1-3H3,(H,30,33)
InChIKeyOZDTXCBTLSDOIG-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.42
Rot. Bonds10

About 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide

4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 54838274) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID54838274
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)cc1)c1ccccc1
InChIInChI=1S/C28H32N4O3/c1-4-32(25-11-6-5-7-12-25)28(35)22-14-16-23(17-15-22)29-20-26(33)30-24-10-8-9-21(19-24)13-18-27(34)31(2)3/h5-12,14-17,19,29H,4,13,18,20H2,1-3H3,(H,30,33)
InChIKeyOZDTXCBTLSDOIG-UHFFFAOYSA-N
XLogP4.42
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838477
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838383
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838290
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826705

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide (CID 54838274) is 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is OZDTXCBTLSDOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-4-32(25-11-6-5-7-12-25)28(35)22-14-16-23(17-15-22)29-20-26(33)30-24-10-8-9-21(19-24)13-18-27(34)31(2)3/h5-12,14-17,19,29H,4,13,18,20H2,1-3H3,(H,30,33).
What are the key properties of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 472.59 g/mol, XLogP of 4.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 54838274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).