3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide

C28H32N2O3 — CID 26162531

IUPAC3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C28H32N2O3/c1-3-17-30(18-4-2)28(32)24-13-8-14-25(20-24)29-27(31)23-12-9-15-26(21-23)33-19-16-22-10-6-5-7-11-22/h5-15,20-21H,3-4,16-19H2,1-2H3,(H,29,31)
InChIKeyAHLODHHDHFWPIL-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.82
Rot. Bonds11

About 3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide

3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide (PubChem CID 26162531) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide
PubChem CID26162531
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C28H32N2O3/c1-3-17-30(18-4-2)28(32)24-13-8-14-25(20-24)29-27(31)23-12-9-15-26(21-23)33-19-16-22-10-6-5-7-11-22/h5-15,20-21H,3-4,16-19H2,1-2H3,(H,29,31)
InChIKeyAHLODHHDHFWPIL-UHFFFAOYSA-N
XLogP5.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 55996557
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
3-[(3-butoxybenzoyl)carbamothioylamino]-N,N-dipropylbenzamide
CID 26162655
N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 26162678
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide (CID 26162531) is 3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)c1.
What is the InChIKey of 3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide?
The InChIKey is AHLODHHDHFWPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-3-17-30(18-4-2)28(32)24-13-8-14-25(20-24)29-27(31)23-12-9-15-26(21-23)33-19-16-22-10-6-5-7-11-22/h5-15,20-21H,3-4,16-19H2,1-2H3,(H,29,31).
What are the key properties of 3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide?
3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide has a molecular weight of 444.58 g/mol, XLogP of 5.82, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 26162531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).