3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide

C12H20N2O2 — CID 115655784

IUPAC3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)NCc1ccco1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-12(15)7-10(3)13-8-11-5-4-6-16-11/h4-6,9-10,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyVMQYOJDXAXQLNV-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.67
Rot. Bonds6

About 3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide

3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide (PubChem CID 115655784) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide
PubChem CID115655784
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)NCc1ccco1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-12(15)7-10(3)13-8-11-5-4-6-16-11/h4-6,9-10,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyVMQYOJDXAXQLNV-UHFFFAOYSA-N
XLogP1.67
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
N-(furan-2-ylmethyl)-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111123829
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
(3S)-3-(furan-2-ylmethylamino)-1-[(1R,2S)-2,6,6-trimethylcyclohex-3-en-1-yl]butan-1-one
CID 98228893
N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 8913720
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-(furan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 43749052
2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083284
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide?
The IUPAC name of 3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide (CID 115655784) is 3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for 3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(C)NCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide?
The InChIKey is VMQYOJDXAXQLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)14-12(15)7-10(3)13-8-11-5-4-6-16-11/h4-6,9-10,13H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide?
3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide has a molecular weight of 224.30 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 115655784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).