N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide

C21H26N2O3 — CID 17187670

IUPACN-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-7-20(24)22-17-8-6-9-18(14-17)23-21(25)16-10-12-19(13-11-16)26-15(3)5-2/h6,8-15H,4-5,7H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySTBJRXHXNGUENV-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.85
Rot. Bonds8

About N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide

N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide (PubChem CID 17187670) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide
PubChem CID17187670
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-7-20(24)22-17-8-6-9-18(14-17)23-21(25)16-10-12-19(13-11-16)26-15(3)5-2/h6,8-15H,4-5,7H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySTBJRXHXNGUENV-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
CID 54830125
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830461
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-butan-2-yloxybenzamide
CID 17187764
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649
3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide
CID 43877291
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17161659

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide (CID 17187670) is N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide is CCCC(=O)Nc1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide?
The InChIKey is STBJRXHXNGUENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-7-20(24)22-17-8-6-9-18(14-17)23-21(25)16-10-12-19(13-11-16)26-15(3)5-2/h6,8-15H,4-5,7H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide?
N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide is sourced from PubChem (CID 17187670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).