3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide

C12H16N2O2 — CID 126681616

IUPAC3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide
SMILESCN(CO)C(=O)c1cc(N)cc(C2CC2)c1
InChIInChI=1S/C12H16N2O2/c1-14(7-15)12(16)10-4-9(8-2-3-8)5-11(13)6-10/h4-6,8,15H,2-3,7,13H2,1H3
InChIKeyQYSRHYOHVCYHTQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.17
Rot. Bonds3

About 3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide

3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide (PubChem CID 126681616) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide
PubChem CID126681616
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide
SMILESCN(CO)C(=O)c1cc(N)cc(C2CC2)c1
InChIInChI=1S/C12H16N2O2/c1-14(7-15)12(16)10-4-9(8-2-3-8)5-11(13)6-10/h4-6,8,15H,2-3,7,13H2,1H3
InChIKeyQYSRHYOHVCYHTQ-UHFFFAOYSA-N
XLogP1.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-cyclohexyl-N,N-diethylbenzamide
CID 171121587
3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61094798
3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide
CID 171121602
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
3-amino-5-(oxan-4-yl)benzoic acid
CID 67514172
3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79384757
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide?
The IUPAC name of 3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide (CID 126681616) is 3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide is CN(CO)C(=O)c1cc(N)cc(C2CC2)c1.
What is the InChIKey of 3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide?
The InChIKey is QYSRHYOHVCYHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(7-15)12(16)10-4-9(8-2-3-8)5-11(13)6-10/h4-6,8,15H,2-3,7,13H2,1H3.
What are the key properties of 3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide?
3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide has a molecular weight of 220.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide is sourced from PubChem (CID 126681616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).