N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide

C21H26N2O3 — CID 17202512

IUPACN-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-20(24)22-17-8-10-18(11-9-17)23-21(25)16-6-12-19(13-7-16)26-14-15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLDECEEPVQNZZSY-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.71
Rot. Bonds8

About N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide

N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide (PubChem CID 17202512) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
PubChem CID17202512
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-20(24)22-17-8-10-18(11-9-17)23-21(25)16-6-12-19(13-7-16)26-14-15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLDECEEPVQNZZSY-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54820175
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide (CID 17202512) is N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide is CCCC(=O)Nc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is LDECEEPVQNZZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-20(24)22-17-8-10-18(11-9-17)23-21(25)16-6-12-19(13-7-16)26-14-15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide?
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17202512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).