7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide

C20H31NO2 — CID 10829314

IUPAC7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide
SMILESCCCCCNC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2
InChIInChI=1S/C20H31NO2/c1-7-8-9-10-21-18(22)14-11-15(19(2,3)4)17-16(12-14)20(5,6)13-23-17/h11-12H,7-10,13H2,1-6H3,(H,21,22)
InChIKeyNXZSDPWQJGOVBP-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.57
Rot. Bonds5

About 7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide

7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide (PubChem CID 10829314) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide
PubChem CID10829314
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide
SMILESCCCCCNC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2
InChIInChI=1S/C20H31NO2/c1-7-8-9-10-21-18(22)14-11-15(19(2,3)4)17-16(12-14)20(5,6)13-23-17/h11-12H,7-10,13H2,1-6H3,(H,21,22)
InChIKeyNXZSDPWQJGOVBP-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methyl-3-sulfanylbutan-1-one
CID 22905863
1-[1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]butan-1-one
CID 69114568
4-tert-butyl-N-nonylbenzamide
CID 4642451
3-bromo-4-tert-butyl-N-heptylbenzamide
CID 3399174
4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide
CID 62186743
3,5-diamino-N-hexadecylbenzamide
CID 54469516
N-dodecyl-3,5-dinitrobenzamide
CID 3416063
3,5-dinitro-N-undecylbenzamide
CID 5056221
3,5-ditert-butyl-N-[[2-(heptylcarbamoylamino)phenyl]methyl]-4-hydroxybenzamide
CID 57152110
3,5-diacetamido-N-pentylbenzamide
CID 18108250
(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-pyrrolidin-1-ylmethanimine;hydrochloride
CID 22907290
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 62234841

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide?
The IUPAC name of 7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide (CID 10829314) is 7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide.
What is the SMILES notation for 7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide?
The canonical SMILES for 7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide is CCCCCNC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2.
What is the InChIKey of 7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide?
The InChIKey is NXZSDPWQJGOVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-7-8-9-10-21-18(22)14-11-15(19(2,3)4)17-16(12-14)20(5,6)13-23-17/h11-12H,7-10,13H2,1-6H3,(H,21,22).
What are the key properties of 7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide?
7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide has a molecular weight of 317.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 10829314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).