N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide

C11H18N2O2 — CID 114818535

IUPACN-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)CN)co1
InChIInChI=1S/C11H18N2O2/c1-8-4-9(5-15-8)10(14)13-7-11(2,3)6-12/h4-5H,6-7,12H2,1-3H3,(H,13,14)
InChIKeySETYYDRHVBYLML-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.30
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide (PubChem CID 114818535) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
PubChem CID114818535
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)CN)co1
InChIInChI=1S/C11H18N2O2/c1-8-4-9(5-15-8)10(14)13-7-11(2,3)6-12/h4-5H,6-7,12H2,1-3H3,(H,13,14)
InChIKeySETYYDRHVBYLML-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

2,2-dimethyl-3-[(5-methylfuran-3-carbonyl)amino]propanoic acid
CID 114819150
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide
CID 114820786
N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
CID 114821770
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115365610
N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide
CID 114823198
N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide
CID 119627230
N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide
CID 106287191
N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
CID 114821704
N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
CID 107233315
1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 114819162
N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
CID 115271024
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide (CID 114818535) is N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCC(C)(C)CN)co1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide?
The InChIKey is SETYYDRHVBYLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-4-9(5-15-8)10(14)13-7-11(2,3)6-12/h4-5H,6-7,12H2,1-3H3,(H,13,14).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-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-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114818535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).