3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C17H20N2O2 — CID 61108342

IUPAC3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2cccc(N)c2C)C2CC2)o1
InChIInChI=1S/C17H20N2O2/c1-11-6-9-14(21-11)10-19(13-7-8-13)17(20)15-4-3-5-16(18)12(15)2/h3-6,9,13H,7-8,10,18H2,1-2H3
InChIKeyBQQPCMIURCWHOD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.28
Rot. Bonds4

About 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 61108342) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID61108342
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2cccc(N)c2C)C2CC2)o1
InChIInChI=1S/C17H20N2O2/c1-11-6-9-14(21-11)10-19(13-7-8-13)17(20)15-4-3-5-16(18)12(15)2/h3-6,9,13H,7-8,10,18H2,1-2H3
InChIKeyBQQPCMIURCWHOD-UHFFFAOYSA-N
XLogP3.28
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794179
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 55104325
(2R)-2-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 61162622
2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 54871939
3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60949956
N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 63665475
3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 82786543

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 61108342) is 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C(=O)c2cccc(N)c2C)C2CC2)o1.
What is the InChIKey of 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is BQQPCMIURCWHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-6-9-14(21-11)10-19(13-7-8-13)17(20)15-4-3-5-16(18)12(15)2/h3-6,9,13H,7-8,10,18H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 61108342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).