N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C20H26N2O4 — CID 55371879

IUPACN-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCC(NC(=O)C(NC(=O)c1ccco1)C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4/c1-5-16(14-8-10-15(25-4)11-9-14)21-20(24)18(13(2)3)22-19(23)17-7-6-12-26-17/h6-13,16,18H,5H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyCYRKIUCGNFKCAO-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.31
Rot. Bonds8

About N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 55371879) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID55371879
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCC(NC(=O)C(NC(=O)c1ccco1)C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4/c1-5-16(14-8-10-15(25-4)11-9-14)21-20(24)18(13(2)3)22-19(23)17-7-6-12-26-17/h6-13,16,18H,5H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyCYRKIUCGNFKCAO-UHFFFAOYSA-N
XLogP3.31
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2S)-1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611817
N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78771444
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate
CID 60722003
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
CID 30590977
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565992

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 55371879) is N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CCC(NC(=O)C(NC(=O)c1ccco1)C(C)C)c1ccc(OC)cc1.
What is the InChIKey of N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is CYRKIUCGNFKCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-5-16(14-8-10-15(25-4)11-9-14)21-20(24)18(13(2)3)22-19(23)17-7-6-12-26-17/h6-13,16,18H,5H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55371879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).