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

C12H21ClN2O2 — CID 120504472

IUPAC3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
SMILESCc1ccc(CN(C)C(=O)C(C)C(C)N)o1.Cl
InChIInChI=1S/C12H20N2O2.ClH/c1-8-5-6-11(16-8)7-14(4)12(15)9(2)10(3)13;/h5-6,9-10H,7,13H2,1-4H3;1H
InChIKeyXRAXSMSOSRPEMW-UHFFFAOYSA-N
MW260.76 g/mol
LogP1.95
Rot. Bonds4

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

3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride (PubChem CID 120504472) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
PubChem CID120504472
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
SMILESCc1ccc(CN(C)C(=O)C(C)C(C)N)o1.Cl
InChIInChI=1S/C12H20N2O2.ClH/c1-8-5-6-11(16-8)7-14(4)12(15)9(2)10(3)13;/h5-6,9-10H,7,13H2,1-4H3;1H
InChIKeyXRAXSMSOSRPEMW-UHFFFAOYSA-N
XLogP1.95
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 76893225
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 43650292
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
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide
CID 78768708
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 55208257
(2S)-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 78967844
4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120597638
1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 60723769
(2S)-2-amino-3-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 93031307

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride (CID 120504472) is 3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride is Cc1ccc(CN(C)C(=O)C(C)C(C)N)o1.Cl.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride?
The InChIKey is XRAXSMSOSRPEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.ClH/c1-8-5-6-11(16-8)7-14(4)12(15)9(2)10(3)13;/h5-6,9-10H,7,13H2,1-4H3;1H.
What are the key properties of 3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride?
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride has a molecular weight of 260.76 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 120504472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).