4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide

C15H17N3O4 — CID 82070085

IUPAC4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCNC(=O)COc1cc(C(=O)NCc2ccco2)ccc1N
InChIInChI=1S/C15H17N3O4/c1-17-14(19)9-22-13-7-10(4-5-12(13)16)15(20)18-8-11-3-2-6-21-11/h2-7H,8-9,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyKSDMQBLHXMNJRN-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.92
Rot. Bonds6

About 4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide

4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide (PubChem CID 82070085) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide
PubChem CID82070085
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCNC(=O)COc1cc(C(=O)NCc2ccco2)ccc1N
InChIInChI=1S/C15H17N3O4/c1-17-14(19)9-22-13-7-10(4-5-12(13)16)15(20)18-8-11-3-2-6-21-11/h2-7H,8-9,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyKSDMQBLHXMNJRN-UHFFFAOYSA-N
XLogP0.92
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070083
4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 9081389
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 18208692
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28638354
3-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17199940
3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55847820
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide (CID 82070085) is 4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide is CNC(=O)COc1cc(C(=O)NCc2ccco2)ccc1N.
What is the InChIKey of 4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide?
The InChIKey is KSDMQBLHXMNJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-17-14(19)9-22-13-7-10(4-5-12(13)16)15(20)18-8-11-3-2-6-21-11/h2-7H,8-9,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide?
4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide has a molecular weight of 303.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 82070085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).