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

C16H18N2O3 — CID 113057415

IUPACN-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1ccco1)c1cccc(C)c1
InChIInChI=1S/C16H18N2O3/c1-12-5-3-6-14(11-12)18(13(2)19)9-8-17-16(20)15-7-4-10-21-15/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)
InChIKeyQUORVUOAORVIDP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.37
Rot. Bonds5

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

N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide (PubChem CID 113057415) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
PubChem CID113057415
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1ccco1)c1cccc(C)c1
InChIInChI=1S/C16H18N2O3/c1-12-5-3-6-14(11-12)18(13(2)19)9-8-17-16(20)15-7-4-10-21-15/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)
InChIKeyQUORVUOAORVIDP-UHFFFAOYSA-N
XLogP2.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
CID 113057469
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
CID 113062542
N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 5007053
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide
CID 113061085
N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061592
N-[2-(N-acetyl-2-methoxyanilino)ethyl]furan-2-carboxamide
CID 113060433
N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide
CID 113057406
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
CID 113061369
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]furan-2-carboxamide
CID 113062422

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide (CID 113057415) is N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide is CC(=O)N(CCNC(=O)c1ccco1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide?
The InChIKey is QUORVUOAORVIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-5-3-6-14(11-12)18(13(2)19)9-8-17-16(20)15-7-4-10-21-15/h3-7,10-11H,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide?
N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113057415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).