N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide

C18H23N3O3 — CID 51096084

IUPACN-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1ccc(C(CNC(=O)CNC(=O)c2ccoc2)N(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-13-4-6-14(7-5-13)16(21(2)3)10-19-17(22)11-20-18(23)15-8-9-24-12-15/h4-9,12,16H,10-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLYOYQOAVSRKTDR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.74
Rot. Bonds7

About N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide

N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 51096084) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide
PubChem CID51096084
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1ccc(C(CNC(=O)CNC(=O)c2ccoc2)N(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-13-4-6-14(7-5-13)16(21(2)3)10-19-17(22)11-20-18(23)15-8-9-24-12-15/h4-9,12,16H,10-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLYOYQOAVSRKTDR-UHFFFAOYSA-N
XLogP1.74
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide
CID 94812073
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 71798196
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide
CID 46431023
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125154955
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110622168
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383
3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
CID 60597801
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 41318293
N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
CID 38304482

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide (CID 51096084) is N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide is Cc1ccc(C(CNC(=O)CNC(=O)c2ccoc2)N(C)C)cc1.
What is the InChIKey of N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is LYOYQOAVSRKTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-4-6-14(7-5-13)16(21(2)3)10-19-17(22)11-20-18(23)15-8-9-24-12-15/h4-9,12,16H,10-11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide?
N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 51096084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).