2-[1-(furan-2-yl)propan-2-ylamino]butanamide

C11H18N2O2 — CID 62899658

IUPAC2-[1-(furan-2-yl)propan-2-ylamino]butanamide
SMILESCCC(NC(C)Cc1ccco1)C(N)=O
InChIInChI=1S/C11H18N2O2/c1-3-10(11(12)14)13-8(2)7-9-5-4-6-15-9/h4-6,8,10,13H,3,7H2,1-2H3,(H2,12,14)
InChIKeySAVUYTUQFHIVQG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.06
Rot. Bonds6

About 2-[1-(furan-2-yl)propan-2-ylamino]butanamide

2-[1-(furan-2-yl)propan-2-ylamino]butanamide (PubChem CID 62899658) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)propan-2-ylamino]butanamide.

Molecular Properties

Compound Name2-[1-(furan-2-yl)propan-2-ylamino]butanamide
PubChem CID62899658
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[1-(furan-2-yl)propan-2-ylamino]butanamide
SMILESCCC(NC(C)Cc1ccco1)C(N)=O
InChIInChI=1S/C11H18N2O2/c1-3-10(11(12)14)13-8(2)7-9-5-4-6-15-9/h4-6,8,10,13H,3,7H2,1-2H3,(H2,12,14)
InChIKeySAVUYTUQFHIVQG-UHFFFAOYSA-N
XLogP1.06
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
CID 62728492
N-carbamoyl-2-[1-(furan-2-yl)propan-2-ylamino]acetamide
CID 61043892
2-amino-N-[1-(furan-2-yl)propan-2-yl]pentanamide
CID 43705248
4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 61471638
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
1-N,1-N-diethyl-2-N-[1-(furan-2-yl)propan-2-yl]propane-1,2-diamine
CID 55179779
propyl 3-(furan-2-yl)-2-methylpropanoate
CID 175280714
ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
CID 83042042
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
2-(2-methylpropyl)furan;propanoic acid
CID 158583493

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)propan-2-ylamino]butanamide?
The IUPAC name of 2-[1-(furan-2-yl)propan-2-ylamino]butanamide (CID 62899658) is 2-[1-(furan-2-yl)propan-2-ylamino]butanamide.
What is the SMILES notation for 2-[1-(furan-2-yl)propan-2-ylamino]butanamide?
The canonical SMILES for 2-[1-(furan-2-yl)propan-2-ylamino]butanamide is CCC(NC(C)Cc1ccco1)C(N)=O.
What is the InChIKey of 2-[1-(furan-2-yl)propan-2-ylamino]butanamide?
The InChIKey is SAVUYTUQFHIVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-10(11(12)14)13-8(2)7-9-5-4-6-15-9/h4-6,8,10,13H,3,7H2,1-2H3,(H2,12,14).
What are the key properties of 2-[1-(furan-2-yl)propan-2-ylamino]butanamide?
2-[1-(furan-2-yl)propan-2-ylamino]butanamide has a molecular weight of 210.28 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)propan-2-ylamino]butanamide is sourced from PubChem (CID 62899658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).