N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide

C15H26N2O2 — CID 61249924

IUPACN-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C15H26N2O2/c1-12(2)16-10-4-7-15(18)17-13(3)8-9-14-6-5-11-19-14/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,17,18)
InChIKeyKTKVPSGEVYJTRM-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.50
Rot. Bonds9

About N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide

N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide (PubChem CID 61249924) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
PubChem CID61249924
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C15H26N2O2/c1-12(2)16-10-4-7-15(18)17-13(3)8-9-14-6-5-11-19-14/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,17,18)
InChIKeyKTKVPSGEVYJTRM-UHFFFAOYSA-N
XLogP2.50
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[4-(furan-2-yl)butan-2-ylamino]butanamide
CID 79394921
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
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
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate
CID 106707217
4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide
CID 18162412
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
N-ethyl-2-[4-(furan-2-yl)butan-2-ylamino]acetamide
CID 43401748

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide (CID 61249924) is N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NC(C)CCc1ccco1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide?
The InChIKey is KTKVPSGEVYJTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)16-10-4-7-15(18)17-13(3)8-9-14-6-5-11-19-14/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide?
N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide has a molecular weight of 266.38 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 61249924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).