4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide

C18H23N3O4 — CID 54818743

IUPAC4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNCc2ccco2)cc1
InChIInChI=1S/C18H23N3O4/c1-24-10-3-9-20-18(23)14-5-7-15(8-6-14)21-17(22)13-19-12-16-4-2-11-25-16/h2,4-8,11,19H,3,9-10,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyYTOVJLQQXZHYFW-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.77
Rot. Bonds10

About 4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide

4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54818743) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54818743
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNCc2ccco2)cc1
InChIInChI=1S/C18H23N3O4/c1-24-10-3-9-20-18(23)14-5-7-15(8-6-14)21-17(22)13-19-12-16-4-2-11-25-16/h2,4-8,11,19H,3,9-10,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyYTOVJLQQXZHYFW-UHFFFAOYSA-N
XLogP1.77
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
CID 108943248
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845211
N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54818705
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide
CID 54818809
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836394
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide (CID 54818743) is 4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(NC(=O)CNCc2ccco2)cc1.
What is the InChIKey of 4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is YTOVJLQQXZHYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-24-10-3-9-20-18(23)14-5-7-15(8-6-14)21-17(22)13-19-12-16-4-2-11-25-16/h2,4-8,11,19H,3,9-10,12-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 345.40 g/mol, XLogP of 1.77, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54818743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).