N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide

C19H24N2O3 — CID 36859009

IUPACN-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
SMILESCCCCCCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C19H24N2O3/c1-2-3-4-5-12-18(22)21-17-11-7-6-10-16(17)19(23)20-14-15-9-8-13-24-15/h6-11,13H,2-5,12,14H2,1H3,(H,20,23)(H,21,22)
InChIKeyITNFAAPFKFGMHO-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.12
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide

N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide (PubChem CID 36859009) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
PubChem CID36859009
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
SMILESCCCCCCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C19H24N2O3/c1-2-3-4-5-12-18(22)21-17-11-7-6-10-16(17)19(23)20-14-15-9-8-13-24-15/h6-11,13H,2-5,12,14H2,1H3,(H,20,23)(H,21,22)
InChIKeyITNFAAPFKFGMHO-UHFFFAOYSA-N
XLogP4.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55772978
N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide
CID 54789414
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 8684008
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 51188549
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide (CID 36859009) is N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide is CCCCCCC(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide?
The InChIKey is ITNFAAPFKFGMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-3-4-5-12-18(22)21-17-11-7-6-10-16(17)19(23)20-14-15-9-8-13-24-15/h6-11,13H,2-5,12,14H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide?
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide has a molecular weight of 328.41 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide is sourced from PubChem (CID 36859009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).