3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide

C21H26N2O3 — CID 26157613

IUPAC3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-5-13-26-19-8-6-7-17(14-19)21(25)23-18-11-9-16(10-12-18)20(24)22-15(2)3/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySAKUNZUUEXXOTK-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.26
Rot. Bonds8

About 3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide

3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 26157613) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID26157613
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-5-13-26-19-8-6-7-17(14-19)21(25)23-18-11-9-16(10-12-18)20(24)22-15(2)3/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySAKUNZUUEXXOTK-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-butoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17194072
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17232374
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-[(4-benzamidophenyl)carbamothioyl]-3-butoxybenzamide
CID 17235751

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide (CID 26157613) is 3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide is CCCCOc1cccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1.
What is the InChIKey of 3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is SAKUNZUUEXXOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-13-26-19-8-6-7-17(14-19)21(25)23-18-11-9-16(10-12-18)20(24)22-15(2)3/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 26157613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).