5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide

C14H21N3O2 — CID 62975328

IUPAC5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCCN(C)C1CC1
InChIInChI=1S/C14H21N3O2/c1-17(11-4-5-11)8-7-16-14(18)12-9-10(15)3-6-13(12)19-2/h3,6,9,11H,4-5,7-8,15H2,1-2H3,(H,16,18)
InChIKeyVAUBXFVEWWKNJK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.10
Rot. Bonds6

About 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide

5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide (PubChem CID 62975328) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
PubChem CID62975328
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCCN(C)C1CC1
InChIInChI=1S/C14H21N3O2/c1-17(11-4-5-11)8-7-16-14(18)12-9-10(15)3-6-13(12)19-2/h3,6,9,11H,4-5,7-8,15H2,1-2H3,(H,16,18)
InChIKeyVAUBXFVEWWKNJK-UHFFFAOYSA-N
XLogP1.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673447
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 55226609
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 79776956
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 62977734
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide (CID 62975328) is 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NCCN(C)C1CC1.
What is the InChIKey of 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide?
The InChIKey is VAUBXFVEWWKNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(11-4-5-11)8-7-16-14(18)12-9-10(15)3-6-13(12)19-2/h3,6,9,11H,4-5,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide?
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 62975328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).