N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide

C25H30N2O5 — CID 42773085

IUPACN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide
SMILESCCOCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccco1
InChIInChI=1S/C25H30N2O5/c1-3-30-15-8-14-26(25(29)23-11-7-16-31-23)19-24(28)27(17-21-9-5-4-6-10-21)18-22-13-12-20(2)32-22/h4-7,9-13,16H,3,8,14-15,17-19H2,1-2H3
InChIKeyAKBCQMMXJVEAIC-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.28
Rot. Bonds12

About N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide (PubChem CID 42773085) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide
PubChem CID42773085
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide
SMILESCCOCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccco1
InChIInChI=1S/C25H30N2O5/c1-3-30-15-8-14-26(25(29)23-11-7-16-31-23)19-24(28)27(17-21-9-5-4-6-10-21)18-22-13-12-20(2)32-22/h4-7,9-13,16H,3,8,14-15,17-19H2,1-2H3
InChIKeyAKBCQMMXJVEAIC-UHFFFAOYSA-N
XLogP4.28
TPSA76.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide 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-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 4611746
N-benzyl-2-[3-ethoxypropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773091
ethyl 4-[[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-(3-ethoxypropyl)amino]-4-oxobutanoate
CID 4547725
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
N-(3-ethoxypropyl)-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4695356
N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 5176280
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide
CID 3408962
N-(2-methoxyethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3919322
N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3953294
2,4-dichloro-N-(3-ethoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3984440
3,4-dichloro-N-(3-ethoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4645321
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]butanamide
CID 4163452

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide?
The IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide (CID 42773085) is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide is CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide?
The InChIKey is AKBCQMMXJVEAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-3-30-15-8-14-26(25(29)23-11-7-16-31-23)19-24(28)27(17-21-9-5-4-6-10-21)18-22-13-12-20(2)32-22/h4-7,9-13,16H,3,8,14-15,17-19H2,1-2H3.
What are the key properties of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide?
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 4.28, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide is sourced from PubChem (CID 42773085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).