1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide

C18H28N2O2 — CID 109044096

IUPAC1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)NC(C)CC)cc1
InChIInChI=1S/C18H28N2O2/c1-5-12-20(13-6-2)18(22)16-10-8-15(9-11-16)17(21)19-14(4)7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,19,21)
InChIKeySJKRYPTYSORMFO-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.48
Rot. Bonds8

About 1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide

1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide (PubChem CID 109044096) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
PubChem CID109044096
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)NC(C)CC)cc1
InChIInChI=1S/C18H28N2O2/c1-5-12-20(13-6-2)18(22)16-10-8-15(9-11-16)17(21)19-14(4)7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,19,21)
InChIKeySJKRYPTYSORMFO-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide
CID 109044091
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
N-butan-2-yl-4-(sulfanylmethyl)benzamide
CID 156809671
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
N-[1-[benzoyl(ethyl)amino]propan-2-yl]benzamide
CID 165355885
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
3-butan-2-yl-1,1-dipropylurea
CID 17217773

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide (CID 109044096) is 1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide is CCCN(CCC)C(=O)c1ccc(C(=O)NC(C)CC)cc1.
What is the InChIKey of 1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
The InChIKey is SJKRYPTYSORMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-12-20(13-6-2)18(22)16-10-8-15(9-11-16)17(21)19-14(4)7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,19,21).
What are the key properties of 1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109044096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).