N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C22H30N2O3 — CID 55543313

IUPACN-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCCCCc1ccc(C(NC(=O)CN(C)C(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C22H30N2O3/c1-5-6-8-17-10-12-18(13-11-17)21(16(2)3)23-20(25)15-24(4)22(26)19-9-7-14-27-19/h7,9-14,16,21H,5-6,8,15H2,1-4H3,(H,23,25)
InChIKeyNKOZXHGRIHVGIJ-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.21
Rot. Bonds9

About N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 55543313) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID55543313
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCCCCc1ccc(C(NC(=O)CN(C)C(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C22H30N2O3/c1-5-6-8-17-10-12-18(13-11-17)21(16(2)3)23-20(25)15-24(4)22(26)19-9-7-14-27-19/h7,9-14,16,21H,5-6,8,15H2,1-4H3,(H,23,25)
InChIKeyNKOZXHGRIHVGIJ-UHFFFAOYSA-N
XLogP4.21
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272781
N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 93041382
N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55583339
N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 46532972
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid
CID 81063172
4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587327
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 55543313) is N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CCCCc1ccc(C(NC(=O)CN(C)C(=O)c2ccco2)C(C)C)cc1.
What is the InChIKey of N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is NKOZXHGRIHVGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-6-8-17-10-12-18(13-11-17)21(16(2)3)23-20(25)15-24(4)22(26)19-9-7-14-27-19/h7,9-14,16,21H,5-6,8,15H2,1-4H3,(H,23,25).
What are the key properties of N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 55543313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).