5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide

C13H18N2O — CID 61290779

IUPAC5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(C)C1CC1
InChIInChI=1S/C13H18N2O/c1-8-3-6-11(14)7-12(8)13(16)15-9(2)10-4-5-10/h3,6-7,9-10H,4-5,14H2,1-2H3,(H,15,16)
InChIKeyRWLJAHLIGNIUIN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.11
Rot. Bonds3

About 5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide

5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide (PubChem CID 61290779) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
PubChem CID61290779
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(C)C1CC1
InChIInChI=1S/C13H18N2O/c1-8-3-6-11(14)7-12(8)13(16)15-9(2)10-4-5-10/h3,6-7,9-10H,4-5,14H2,1-2H3,(H,15,16)
InChIKeyRWLJAHLIGNIUIN-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
CID 27884542
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120616369
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
CID 65309722
4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
3,5-diamino-N-(1-cyclopropylethyl)benzamide
CID 61094229
4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
CID 107207952
5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65389131
5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 120631954
2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
CID 746126

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide (CID 61290779) is 5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NC(C)C1CC1.
What is the InChIKey of 5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide?
The InChIKey is RWLJAHLIGNIUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-3-6-11(14)7-12(8)13(16)15-9(2)10-4-5-10/h3,6-7,9-10H,4-5,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide?
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide is sourced from PubChem (CID 61290779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).