N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C20H26N2O3 — CID 43047921

IUPACN-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)16-10-8-15(9-11-16)13-21(4)18(23)14-22(5)19(24)17-7-6-12-25-17/h6-12H,13-14H2,1-5H3
InChIKeyCUHJEFHYCOLMRB-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.31
Rot. Bonds5

About N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 43047921) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID43047921
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)16-10-8-15(9-11-16)13-21(4)18(23)14-22(5)19(24)17-7-6-12-25-17/h6-12H,13-14H2,1-5H3
InChIKeyCUHJEFHYCOLMRB-UHFFFAOYSA-N
XLogP3.31
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 26762
4-Tert-butyl-N-(2-furylmethyl)benzamide
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Furan-2-carboxamide deriv., 17
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1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
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2-furyl-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
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CID 674887
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
N-benzylfuran-2-carboxamide
CID 347531
N-[1-(Furan-2-carbonyl)-4-(4-methoxy-phenyl)-piperidin-4-yl]-acetamide
CID 652969
N-(furan-2-ylmethyl)-N-(4-methylbenzyl)-2-[4-(propan-2-yl)phenoxy]acetamide
CID 16013108
N-[2-[(1R,5S)-3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-N-(cyclohexylmethyl)furan-2-carboxamide
CID 155535351

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 43047921) is N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CN(C)C(=O)c1ccco1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is CUHJEFHYCOLMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(2,3)16-10-8-15(9-11-16)13-21(4)18(23)14-22(5)19(24)17-7-6-12-25-17/h6-12H,13-14H2,1-5H3.
What are the key properties of N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 43047921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).