3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide

C14H19N3O3 — CID 43572549

IUPAC3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(=O)NC2CC2)cc1N
InChIInChI=1S/C14H19N3O3/c1-17(8-13(18)16-10-4-5-10)14(19)9-3-6-12(20-2)11(15)7-9/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,18)
InChIKeyUQFCWWONXUDSOX-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.63
Rot. Bonds5

About 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide

3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide (PubChem CID 43572549) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
PubChem CID43572549
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(=O)NC2CC2)cc1N
InChIInChI=1S/C14H19N3O3/c1-17(8-13(18)16-10-4-5-10)14(19)9-3-6-12(20-2)11(15)7-9/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,18)
InChIKeyUQFCWWONXUDSOX-UHFFFAOYSA-N
XLogP0.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.63
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

N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide
CID 86910385
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 18093332
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43579067
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1H-indole-5-carboxamide
CID 63719157
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 107074114
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
CID 63688831
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61093482
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
methyl 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]benzoate
CID 82785492
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide (CID 43572549) is 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC(=O)NC2CC2)cc1N.
What is the InChIKey of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
The InChIKey is UQFCWWONXUDSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17(8-13(18)16-10-4-5-10)14(19)9-3-6-12(20-2)11(15)7-9/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide has a molecular weight of 277.32 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 43572549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).