N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide

C13H20N2O2 — CID 43136513

IUPACN-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
SMILESCCN(CCCN)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-15(10-4-9-14)13(16)11-5-7-12(17-2)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyRRRBMCUGABBPFY-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.51
Rot. Bonds6

About N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide

N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide (PubChem CID 43136513) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
PubChem CID43136513
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC NameN-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
SMILESCCN(CCCN)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-15(10-4-9-14)13(16)11-5-7-12(17-2)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyRRRBMCUGABBPFY-UHFFFAOYSA-N
XLogP1.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
CID 63395129
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide
CID 43136784
N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
CID 28707665
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
CID 79667923
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide
CID 18736088
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide (CID 43136513) is N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide is CCN(CCCN)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide?
The InChIKey is RRRBMCUGABBPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15(10-4-9-14)13(16)11-5-7-12(17-2)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide?
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide has a molecular weight of 236.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 43136513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).