3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide

C17H24N2O2 — CID 109051430

IUPAC3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-3-12(2)18-16(20)13-7-6-8-14(11-13)17(21)19-15-9-4-5-10-15/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMNSFPADLWUKPBK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.89
Rot. Bonds5

About 3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide

3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide (PubChem CID 109051430) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
PubChem CID109051430
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-3-12(2)18-16(20)13-7-6-8-14(11-13)17(21)19-15-9-4-5-10-15/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMNSFPADLWUKPBK-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109102356
2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109080128
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600
2-N-butan-2-yl-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078405
N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
CID 54816415
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide
CID 54786138
6-N-butan-2-yl-2-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093809
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
N-cyclooctyl-3-methylbenzamide
CID 966011
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide (CID 109051430) is 3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide is CCC(C)NC(=O)c1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide?
The InChIKey is MNSFPADLWUKPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-12(2)18-16(20)13-7-6-8-14(11-13)17(21)19-15-9-4-5-10-15/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide?
3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109051430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).