N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide

C11H18N2O2 — CID 65191012

IUPACN-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC(CN)C(C)C)o1
InChIInChI=1S/C11H18N2O2/c1-7(2)9(6-12)13-11(14)10-5-4-8(3)15-10/h4-5,7,9H,6,12H2,1-3H3,(H,13,14)
InChIKeyCOQJNKWZFQPXIG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.30
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide

N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide (PubChem CID 65191012) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide
PubChem CID65191012
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC(CN)C(C)C)o1
InChIInChI=1S/C11H18N2O2/c1-7(2)9(6-12)13-11(14)10-5-4-8(3)15-10/h4-5,7,9H,6,12H2,1-3H3,(H,13,14)
InChIKeyCOQJNKWZFQPXIG-UHFFFAOYSA-N
XLogP1.30
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 79252093
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 81486834
4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 43183438
(2R)-4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 28778450
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide
CID 97318613
N-[1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 4878419
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 2452836
ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 108804015

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide (CID 65191012) is N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC(CN)C(C)C)o1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide?
The InChIKey is COQJNKWZFQPXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)9(6-12)13-11(14)10-5-4-8(3)15-10/h4-5,7,9H,6,12H2,1-3H3,(H,13,14).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide?
N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 65191012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).