2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide

C17H22N2O2 — CID 65225161

IUPAC2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C17H22N2O2/c1-12(2)14(11-18)17(20)19-16(15-9-6-10-21-15)13-7-4-3-5-8-13/h3-10,12,14,16H,11,18H2,1-2H3,(H,19,20)
InChIKeyWYNCTQMMNJGWOX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.72
Rot. Bonds6

About 2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide

2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide (PubChem CID 65225161) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide
PubChem CID65225161
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C17H22N2O2/c1-12(2)14(11-18)17(20)19-16(15-9-6-10-21-15)13-7-4-3-5-8-13/h3-10,12,14,16H,11,18H2,1-2H3,(H,19,20)
InChIKeyWYNCTQMMNJGWOX-UHFFFAOYSA-N
XLogP2.72
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
CID 104902855
(2S)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
CID 61180250
2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 65228366
[furan-2-yl(phenyl)methyl]urea
CID 14906081
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-phenylacetic acid
CID 65227274
(2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide
CID 124854260
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
CID 60780331
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
CID 60661858
N-[furan-2-yl(phenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 51217838

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide (CID 65225161) is 2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide is CC(C)C(CN)C(=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide?
The InChIKey is WYNCTQMMNJGWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)14(11-18)17(20)19-16(15-9-6-10-21-15)13-7-4-3-5-8-13/h3-10,12,14,16H,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide?
2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide has a molecular weight of 286.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 65225161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).