1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide

C22H32N2O4 — CID 135265294

IUPAC1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide
SMILESCCCCCN(C(C)=O)C(=O)c1ccc(C(=O)N(CCCC)C(=O)CC)cc1
InChIInChI=1S/C22H32N2O4/c1-5-8-10-16-23(17(4)25)21(27)18-11-13-19(14-12-18)22(28)24(15-9-6-2)20(26)7-3/h11-14H,5-10,15-16H2,1-4H3
InChIKeyBPAUMVLJJRCCSK-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.04
Rot. Bonds10

About 1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide

1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide (PubChem CID 135265294) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide
PubChem CID135265294
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide
SMILESCCCCCN(C(C)=O)C(=O)c1ccc(C(=O)N(CCCC)C(=O)CC)cc1
InChIInChI=1S/C22H32N2O4/c1-5-8-10-16-23(17(4)25)21(27)18-11-13-19(14-12-18)22(28)24(15-9-6-2)20(26)7-3/h11-14H,5-10,15-16H2,1-4H3
InChIKeyBPAUMVLJJRCCSK-UHFFFAOYSA-N
XLogP4.04
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-N-decylacetamide
CID 57029087
N-(2,2-diaminoacetyl)-4-hydroxy-N-octylbenzamide
CID 67571411
acetyl(pentyl)carbamic acid
CID 87957714
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-carbamothioyl-N-decylbenzamide
CID 161130418
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
4-bromo-N,N-dipentylbenzamide
CID 4599077
N,N-didecyl-4-(trifluoromethyl)benzamide
CID 532962
4-ethyl-N,N-dihexylbenzamide
CID 533235
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
4-amino-N,N-didodecylbenzamide
CID 5077826

Frequently Asked Questions

What is the IUPAC name of 1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide (CID 135265294) is 1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide is CCCCCN(C(C)=O)C(=O)c1ccc(C(=O)N(CCCC)C(=O)CC)cc1.
What is the InChIKey of 1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide?
The InChIKey is BPAUMVLJJRCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-5-8-10-16-23(17(4)25)21(27)18-11-13-19(14-12-18)22(28)24(15-9-6-2)20(26)7-3/h11-14H,5-10,15-16H2,1-4H3.
What are the key properties of 1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide?
1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-acetyl-4-N-butyl-1-N-pentyl-4-N-propanoylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 135265294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).