N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide

C19H25NO3 — CID 112790552

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1
InChIInChI=1S/C19H25NO3/c1-4-5-6-13-22-17-11-8-16(9-12-17)19(21)20(3)14-18-10-7-15(2)23-18/h7-12H,4-6,13-14H2,1-3H3
InChIKeyOXVKQGHVPPPKRC-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.43
Rot. Bonds8

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide (PubChem CID 112790552) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
PubChem CID112790552
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1
InChIInChI=1S/C19H25NO3/c1-4-5-6-13-22-17-11-8-16(9-12-17)19(21)20(3)14-18-10-7-15(2)23-18/h7-12H,4-6,13-14H2,1-3H3
InChIKeyOXVKQGHVPPPKRC-UHFFFAOYSA-N
XLogP4.43
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 5126774
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
CID 41067881
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 32754986
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide
CID 4274304
2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 31799385
5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222002
2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
N-(2-aminopropyl)-4-butoxy-N-methylbenzamide
CID 63753762
3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 86906483

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide (CID 112790552) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide?
The InChIKey is OXVKQGHVPPPKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-5-6-13-22-17-11-8-16(9-12-17)19(21)20(3)14-18-10-7-15(2)23-18/h7-12H,4-6,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide has a molecular weight of 315.41 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide is sourced from PubChem (CID 112790552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).