2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide

C14H21N3O — CID 62060153

IUPAC2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN(C)C2CC2)c1N
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-12(13(10)15)14(18)16-8-9-17(2)11-6-7-11/h3-5,11H,6-9,15H2,1-2H3,(H,16,18)
InChIKeySBEWRKPNIMCYRC-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.40
Rot. Bonds5

About 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide

2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide (PubChem CID 62060153) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide
PubChem CID62060153
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN(C)C2CC2)c1N
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-12(13(10)15)14(18)16-8-9-17(2)11-6-7-11/h3-5,11H,6-9,15H2,1-2H3,(H,16,18)
InChIKeySBEWRKPNIMCYRC-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.40
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

2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
CID 55142391
2-amino-N-cyclopropyl-N,3-dimethylbenzamide
CID 43264479
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62979065
2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033190
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62059516
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
CID 112702550
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429053
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316134
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115597703
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 79776956

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide?
The IUPAC name of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide (CID 62060153) is 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide?
The canonical SMILES for 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCN(C)C2CC2)c1N.
What is the InChIKey of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide?
The InChIKey is SBEWRKPNIMCYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-3-5-12(13(10)15)14(18)16-8-9-17(2)11-6-7-11/h3-5,11H,6-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide?
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 1.40, 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-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 62060153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).