N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide

C21H28N2O3 — CID 132988725

IUPACN-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)C(C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1ccccc1
InChIInChI=1S/C21H28N2O3/c1-15(2)18(19(24)22-21(3,4)5)23(14-17-12-9-13-26-17)20(25)16-10-7-6-8-11-16/h6-13,15,18H,14H2,1-5H3,(H,22,24)
InChIKeySMUJUQUNZPDFSQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.86
Rot. Bonds6

About N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide

N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 132988725) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide
PubChem CID132988725
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)C(C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1ccccc1
InChIInChI=1S/C21H28N2O3/c1-15(2)18(19(24)22-21(3,4)5)23(14-17-12-9-13-26-17)20(25)16-10-7-6-8-11-16/h6-13,15,18H,14H2,1-5H3,(H,22,24)
InChIKeySMUJUQUNZPDFSQ-UHFFFAOYSA-N
XLogP3.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide
CID 3206911
ethyl (E)-4-[benzoyl(furan-2-ylmethyl)amino]-5-methylhex-2-enoate
CID 100945168
N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide
CID 60676843
3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82324557
N-[2-[[(1S)-2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 25315033
2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide
CID 3206914
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
CID 3179033
4-[[[furan-2-ylmethyl(propan-2-yl)carbamoyl]amino]methyl]benzoic acid
CID 122019561
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 46982169
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide (CID 132988725) is N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide is CC(C)C(C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1ccccc1.
What is the InChIKey of N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SMUJUQUNZPDFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(2)18(19(24)22-21(3,4)5)23(14-17-12-9-13-26-17)20(25)16-10-7-6-8-11-16/h6-13,15,18H,14H2,1-5H3,(H,22,24).
What are the key properties of N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide?
N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 356.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 132988725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).