3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide

C25H26N2O3 — CID 17197538

IUPAC3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O3/c1-18(2)26-24(28)20-10-6-12-22(16-20)27-25(29)21-11-7-13-23(17-21)30-15-14-19-8-4-3-5-9-19/h3-13,16-18H,14-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyBODIBZQAWPNKGZ-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.70
Rot. Bonds8

About 3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide

3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 17197538) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
PubChem CID17197538
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O3/c1-18(2)26-24(28)20-10-6-12-22(16-20)27-25(29)21-11-7-13-23(17-21)30-15-14-19-8-4-3-5-9-19/h3-13,16-18H,14-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyBODIBZQAWPNKGZ-UHFFFAOYSA-N
XLogP4.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197543
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide
CID 26162531
N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142390
N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
CID 54781723
N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
CID 17134273
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide (CID 17197538) is 3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)c1.
What is the InChIKey of 3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is BODIBZQAWPNKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18(2)26-24(28)20-10-6-12-22(16-20)27-25(29)21-11-7-13-23(17-21)30-15-14-19-8-4-3-5-9-19/h3-13,16-18H,14-15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 402.49 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17197538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).