2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide

C12H19BrN2O2 — CID 106885493

IUPAC2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCc1occc1Br
InChIInChI=1S/C12H19BrN2O2/c1-8(2)6-15-12(16)9(3)14-7-11-10(13)4-5-17-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyRHFLDPCTJVSICI-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.29
Rot. Bonds6

About 2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide

2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 106885493) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide
PubChem CID106885493
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCc1occc1Br
InChIInChI=1S/C12H19BrN2O2/c1-8(2)6-15-12(16)9(3)14-7-11-10(13)4-5-17-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyRHFLDPCTJVSICI-UHFFFAOYSA-N
XLogP2.29
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-bromofuran-2-yl)methylamino]-3-methylbutanoate
CID 103275052
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 106885364
2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide
CID 115579712
2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 60734142
N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 115591536
2-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]furan-3-carboxylic acid
CID 103262470
2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
CID 28840479
2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 107349412
2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 102615921

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide (CID 106885493) is 2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NCc1occc1Br.
What is the InChIKey of 2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is RHFLDPCTJVSICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-8(2)6-15-12(16)9(3)14-7-11-10(13)4-5-17-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide?
2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 303.20 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromofuran-2-yl)methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 106885493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).