N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide

C19H24N2O4 — CID 51241859

IUPACN-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)CCCNC(=O)c2ccco2)c1
InChIInChI=1S/C19H24N2O4/c1-15-6-3-7-16(14-15)24-13-11-21(2)18(22)9-4-10-20-19(23)17-8-5-12-25-17/h3,5-8,12,14H,4,9-11,13H2,1-2H3,(H,20,23)
InChIKeyMXWOLLFUHUXQHA-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.64
Rot. Bonds9

About N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 51241859) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID51241859
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)CCCNC(=O)c2ccco2)c1
InChIInChI=1S/C19H24N2O4/c1-15-6-3-7-16(14-15)24-13-11-21(2)18(22)9-4-10-20-19(23)17-8-5-12-25-17/h3,5-8,12,14H,4,9-11,13H2,1-2H3,(H,20,23)
InChIKeyMXWOLLFUHUXQHA-UHFFFAOYSA-N
XLogP2.64
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 60740288
N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]adamantane-1-carboxamide
CID 18098208
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18093718
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 34755792
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
N-[2-(3-fluorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 61063132
N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide
CID 86841292
2-(cyclopropylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 54872517
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide (CID 51241859) is N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide is Cc1cccc(OCCN(C)C(=O)CCCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is MXWOLLFUHUXQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-15-6-3-7-16(14-15)24-13-11-21(2)18(22)9-4-10-20-19(23)17-8-5-12-25-17/h3,5-8,12,14H,4,9-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 51241859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).