4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide

C14H19N3O2 — CID 104782607

IUPAC4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
SMILESCCN(CC(C)C#N)C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-4-17(9-10(2)8-15)14(18)11-5-6-12(16)13(7-11)19-3/h5-7,10H,4,9,16H2,1-3H3
InChIKeyBQBSQTUGIJSOMP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.90
Rot. Bonds5

About 4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide

4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide (PubChem CID 104782607) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
PubChem CID104782607
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
SMILESCCN(CC(C)C#N)C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-4-17(9-10(2)8-15)14(18)11-5-6-12(16)13(7-11)19-3/h5-7,10H,4,9,16H2,1-3H3
InChIKeyBQBSQTUGIJSOMP-UHFFFAOYSA-N
XLogP1.90
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503366
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
CID 104782930
5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide
CID 54988535
N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide
CID 62248085
6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide
CID 115283254
3-bromo-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 103841866
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide
CID 63213768

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide (CID 104782607) is 4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide is CCN(CC(C)C#N)C(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide?
The InChIKey is BQBSQTUGIJSOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-17(9-10(2)8-15)14(18)11-5-6-12(16)13(7-11)19-3/h5-7,10H,4,9,16H2,1-3H3.
What are the key properties of 4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide?
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide has a molecular weight of 261.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide is sourced from PubChem (CID 104782607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).