N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide

C11H18N2O3 — CID 106152130

IUPACN-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide
SMILESCOCC(CCN)NC(=O)c1ccoc1C
InChIInChI=1S/C11H18N2O3/c1-8-10(4-6-16-8)11(14)13-9(3-5-12)7-15-2/h4,6,9H,3,5,7,12H2,1-2H3,(H,13,14)
InChIKeyGLJADECBPGKHQJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.68
Rot. Bonds6

About N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide

N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide (PubChem CID 106152130) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide
PubChem CID106152130
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide
SMILESCOCC(CCN)NC(=O)c1ccoc1C
InChIInChI=1S/C11H18N2O3/c1-8-10(4-6-16-8)11(14)13-9(3-5-12)7-15-2/h4,6,9H,3,5,7,12H2,1-2H3,(H,13,14)
InChIKeyGLJADECBPGKHQJ-UHFFFAOYSA-N
XLogP0.68
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 106152482
N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
CID 114150708
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
CID 81076834
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)furan-3-carboxamide
CID 106899013
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 114150752
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106152091
2-methyl-N-(2-methylpropoxy)furan-3-carboxamide
CID 115409998
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N-(4-amino-1-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106152676

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide (CID 106152130) is N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide is COCC(CCN)NC(=O)c1ccoc1C.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide?
The InChIKey is GLJADECBPGKHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-10(4-6-16-8)11(14)13-9(3-5-12)7-15-2/h4,6,9H,3,5,7,12H2,1-2H3,(H,13,14).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide?
N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 106152130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).