3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide

C24H31N3O3 — CID 54824667

IUPAC3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)N(CCC)CCC)c1
InChIInChI=1S/C24H31N3O3/c1-4-14-27(15-5-2)24(29)19-10-9-11-20(17-19)26-23(28)18-25-21-12-7-8-13-22(21)30-16-6-3/h6-13,17,25H,3-5,14-16,18H2,1-2H3,(H,26,28)
InChIKeyQMVZSKGKHLRIIE-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.56
Rot. Bonds12

About 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide

3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54824667) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54824667
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)N(CCC)CCC)c1
InChIInChI=1S/C24H31N3O3/c1-4-14-27(15-5-2)24(29)19-10-9-11-20(17-19)26-23(28)18-25-21-12-7-8-13-22(21)30-16-6-3/h6-13,17,25H,3-5,14-16,18H2,1-2H3,(H,26,28)
InChIKeyQMVZSKGKHLRIIE-UHFFFAOYSA-N
XLogP4.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54827668
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54824294
N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824668
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529
2-(2-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54824256
N-(2-methoxyethyl)-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824260
3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841190
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54824667) is 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide is C=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)N(CCC)CCC)c1.
What is the InChIKey of 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is QMVZSKGKHLRIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-14-27(15-5-2)24(29)19-10-9-11-20(17-19)26-23(28)18-25-21-12-7-8-13-22(21)30-16-6-3/h6-13,17,25H,3-5,14-16,18H2,1-2H3,(H,26,28).
What are the key properties of 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 409.53 g/mol, XLogP of 4.56, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54824667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).