2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide

C13H18N2O — CID 62510402

IUPAC2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC2CC2(C)C)c1
InChIInChI=1S/C13H18N2O/c1-8-4-5-10(14)9(6-8)12(16)15-11-7-13(11,2)3/h4-6,11H,7,14H2,1-3H3,(H,15,16)
InChIKeyMAWBXYWRXGVYRF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.11
Rot. Bonds2

About 2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide

2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide (PubChem CID 62510402) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
PubChem CID62510402
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC2CC2(C)C)c1
InChIInChI=1S/C13H18N2O/c1-8-4-5-10(14)9(6-8)12(16)15-11-7-13(11,2)3/h4-6,11H,7,14H2,1-3H3,(H,15,16)
InChIKeyMAWBXYWRXGVYRF-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
CID 81111991
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 114178387
3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide
CID 112575815
2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide
CID 103882627
2-amino-N-(1,1-dioxothiolan-3-yl)-5-methylbenzamide
CID 62073959
2-amino-N-methoxy-5-methylbenzamide
CID 64974828
2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 114122249
4-bromo-N-(2,2-dimethylcyclopropyl)-2-sulfanylbenzamide
CID 107027442
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 62509244
5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
CID 61217679
N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide
CID 114632412
2-amino-N-ethoxy-5-methylbenzamide
CID 64974666

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide (CID 62510402) is 2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)NC2CC2(C)C)c1.
What is the InChIKey of 2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide?
The InChIKey is MAWBXYWRXGVYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-4-5-10(14)9(6-8)12(16)15-11-7-13(11,2)3/h4-6,11H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide?
2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide is sourced from PubChem (CID 62510402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).