N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide

C21H26N2O3 — CID 26157459

IUPACN-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)16-7-11-19(12-8-16)26-13-20(24)23-18-9-5-17(6-10-18)21(25)22-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyPRGYFDPWLDIHTL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.97
Rot. Bonds7

About N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide

N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide (PubChem CID 26157459) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
PubChem CID26157459
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)16-7-11-19(12-8-16)26-13-20(24)23-18-9-5-17(6-10-18)21(25)22-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyPRGYFDPWLDIHTL-UHFFFAOYSA-N
XLogP3.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733
cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 2788654
N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 42427540
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555
4-[[3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 17296397
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide (CID 26157459) is N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide is CC(C)NC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
The InChIKey is PRGYFDPWLDIHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)16-7-11-19(12-8-16)26-13-20(24)23-18-9-5-17(6-10-18)21(25)22-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 26157459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).