N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide

C18H23N3O3 — CID 5007053

IUPACN-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCCN(CCNC(=O)CNC(=O)c1ccco1)c1cccc(C)c1
InChIInChI=1S/C18H23N3O3/c1-3-21(15-7-4-6-14(2)12-15)10-9-19-17(22)13-20-18(23)16-8-5-11-24-16/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVWXSQDMCSPURRJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.96
Rot. Bonds8

About N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 5007053) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID5007053
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCCN(CCNC(=O)CNC(=O)c1ccco1)c1cccc(C)c1
InChIInChI=1S/C18H23N3O3/c1-3-21(15-7-4-6-14(2)12-15)10-9-19-17(22)13-20-18(23)16-8-5-11-24-16/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVWXSQDMCSPURRJ-UHFFFAOYSA-N
XLogP1.96
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55516916
N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 113057415
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 46673965
2-[[N-[2-(N-ethyl-3-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 111330654
N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 5127937
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 55338497
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide (CID 5007053) is N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide is CCN(CCNC(=O)CNC(=O)c1ccco1)c1cccc(C)c1.
What is the InChIKey of N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is VWXSQDMCSPURRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-21(15-7-4-6-14(2)12-15)10-9-19-17(22)13-20-18(23)16-8-5-11-24-16/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 5007053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).