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

C13H22N2O2 — CID 80543903

IUPAC4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
SMILESCC(CCc1ccco1)NC(=O)C(C)CCN
InChIInChI=1S/C13H22N2O2/c1-10(7-8-14)13(16)15-11(2)5-6-12-4-3-9-17-12/h3-4,9-11H,5-8,14H2,1-2H3,(H,15,16)
InChIKeyZNIQOXKKNWTZHK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.70
Rot. Bonds7

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

4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide (PubChem CID 80543903) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
PubChem CID80543903
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
SMILESCC(CCc1ccco1)NC(=O)C(C)CCN
InChIInChI=1S/C13H22N2O2/c1-10(7-8-14)13(16)15-11(2)5-6-12-4-3-9-17-12/h3-4,9-11H,5-8,14H2,1-2H3,(H,15,16)
InChIKeyZNIQOXKKNWTZHK-UHFFFAOYSA-N
XLogP1.70
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
CID 80543602
1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide
CID 80588451
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
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
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
2-amino-N-[4-(furan-2-yl)butan-2-yl]-5-methoxypentanamide
CID 81088081
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
CID 62728492
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide (CID 80543903) is 4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide is CC(CCc1ccco1)NC(=O)C(C)CCN.
What is the InChIKey of 4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide?
The InChIKey is ZNIQOXKKNWTZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(7-8-14)13(16)15-11(2)5-6-12-4-3-9-17-12/h3-4,9-11H,5-8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide?
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide has a molecular weight of 238.33 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide is sourced from PubChem (CID 80543903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).