2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide

C14H20N2O2 — CID 113475265

IUPAC2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)C2CC2)c(N)c1
InChIInChI=1S/C14H20N2O2/c1-9(10-3-4-10)8-16-14(17)12-6-5-11(18-2)7-13(12)15/h5-7,9-10H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyOYQLWRWSFDAGKG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.05
Rot. Bonds5

About 2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide

2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide (PubChem CID 113475265) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
PubChem CID113475265
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)C2CC2)c(N)c1
InChIInChI=1S/C14H20N2O2/c1-9(10-3-4-10)8-16-14(17)12-6-5-11(18-2)7-13(12)15/h5-7,9-10H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyOYQLWRWSFDAGKG-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746
2-amino-N-(dicyclopropylmethyl)-4-methoxybenzamide
CID 115412967
2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide
CID 113305193
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
CID 115412843
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106011307
2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115413437
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626
N-(2-cyclopropylpropyl)-2-hydroxy-3-methoxybenzamide
CID 115591215
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide (CID 113475265) is 2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC(C)C2CC2)c(N)c1.
What is the InChIKey of 2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide?
The InChIKey is OYQLWRWSFDAGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(10-3-4-10)8-16-14(17)12-6-5-11(18-2)7-13(12)15/h5-7,9-10H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide?
2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide is sourced from PubChem (CID 113475265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).