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

C17H26N2O2 — CID 109044091

IUPAC4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccc(C(=O)NC(C)CC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-6-7-12-18-16(20)14-8-10-15(11-9-14)17(21)19-13(3)5-2/h8-11,13H,4-7,12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyVPRHDNKRYNLRKE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.13
Rot. Bonds8

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

4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide (PubChem CID 109044091) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide
PubChem CID109044091
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccc(C(=O)NC(C)CC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-6-7-12-18-16(20)14-8-10-15(11-9-14)17(21)19-13(3)5-2/h8-11,13H,4-7,12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyVPRHDNKRYNLRKE-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 131885807
CID 131885807
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912
N-butan-2-yl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
CID 54808993
N-decyl-4-hydroxybenzamide
CID 15277871
4-bromo-N-pentylbenzamide
CID 4167913
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-sulfanylbenzamide
CID 107032455
N-pentyl-4-propylbenzamide
CID 70894308
4-bromo-N-hexadecylbenzamide
CID 54791037
1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109044096

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide (CID 109044091) is 4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide is CCCCCNC(=O)c1ccc(C(=O)NC(C)CC)cc1.
What is the InChIKey of 4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide?
The InChIKey is VPRHDNKRYNLRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-6-7-12-18-16(20)14-8-10-15(11-9-14)17(21)19-13(3)5-2/h8-11,13H,4-7,12H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide?
4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109044091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).