N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide

C13H21NO2 — CID 94153264

IUPACN-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@H](C)CCc1ccco1
InChIInChI=1S/C13H21NO2/c1-10(2)9-13(15)14-11(3)6-7-12-5-4-8-16-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyFVNBPYUMNRANEC-LLVKDONJSA-N
MW223.32 g/mol
LogP2.76
Rot. Bonds6

About N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide

N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide (PubChem CID 94153264) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
PubChem CID94153264
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@H](C)CCc1ccco1
InChIInChI=1S/C13H21NO2/c1-10(2)9-13(15)14-11(3)6-7-12-5-4-8-16-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyFVNBPYUMNRANEC-LLVKDONJSA-N
XLogP2.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
CID 61249924
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate
CID 106707217
2-(2,6-dimethylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 18162432
(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169449
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
N-[4-(furan-2-yl)butan-2-yl]-2-piperazin-1-ylacetamide
CID 61249923

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide?
The IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide (CID 94153264) is N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide is CC(C)CC(=O)N[C@H](C)CCc1ccco1.
What is the InChIKey of N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide?
The InChIKey is FVNBPYUMNRANEC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)9-13(15)14-11(3)6-7-12-5-4-8-16-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,14,15)/t11-/m1/s1.
What are the key properties of N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide?
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide has a molecular weight of 223.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 94153264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).