4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride

C12H21ClN2O3 — CID 120597638

IUPAC4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)Cc1ccc(C)o1.Cl
InChIInChI=1S/C12H20N2O3.ClH/c1-9-4-5-10(17-9)8-14(2)12(15)6-11(7-13)16-3;/h4-5,11H,6-8,13H2,1-3H3;1H
InChIKeyTWIIOHGWVTWJJJ-UHFFFAOYSA-N
MW276.76 g/mol
LogP1.33
Rot. Bonds6

About 4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride

4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride (PubChem CID 120597638) has the molecular formula C12H21ClN2O3 and a molecular weight of 276.76 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
PubChem CID120597638
Molecular FormulaC12H21ClN2O3
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)Cc1ccc(C)o1.Cl
InChIInChI=1S/C12H20N2O3.ClH/c1-9-4-5-10(17-9)8-14(2)12(15)6-11(7-13)16-3;/h4-5,11H,6-8,13H2,1-3H3;1H
InChIKeyTWIIOHGWVTWJJJ-UHFFFAOYSA-N
XLogP1.33
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 103155199
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63590309
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120592661
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590
methyl 3-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]butanoate
CID 115188077
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 43302500
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride (CID 120597638) is 4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride is COC(CN)CC(=O)N(C)Cc1ccc(C)o1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride?
The InChIKey is TWIIOHGWVTWJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3.ClH/c1-9-4-5-10(17-9)8-14(2)12(15)6-11(7-13)16-3;/h4-5,11H,6-8,13H2,1-3H3;1H.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 120597638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).