4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide

C17H29N3O2 — CID 70424934

IUPAC4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide
SMILESCCN(CCCC(N)=O)c1c(C)cccc1COCCCN
InChIInChI=1S/C17H29N3O2/c1-3-20(11-5-9-16(19)21)17-14(2)7-4-8-15(17)13-22-12-6-10-18/h4,7-8H,3,5-6,9-13,18H2,1-2H3,(H2,19,21)
InChIKeyLSXKXRBDKWANQS-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.95
Rot. Bonds11

About 4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide

4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide (PubChem CID 70424934) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide.

Molecular Properties

Compound Name4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide
PubChem CID70424934
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide
SMILESCCN(CCCC(N)=O)c1c(C)cccc1COCCCN
InChIInChI=1S/C17H29N3O2/c1-3-20(11-5-9-16(19)21)17-14(2)7-4-8-15(17)13-22-12-6-10-18/h4,7-8H,3,5-6,9-13,18H2,1-2H3,(H2,19,21)
InChIKeyLSXKXRBDKWANQS-UHFFFAOYSA-N
XLogP1.95
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide?
The IUPAC name of 4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide (CID 70424934) is 4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide.
What is the SMILES notation for 4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide?
The canonical SMILES for 4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide is CCN(CCCC(N)=O)c1c(C)cccc1COCCCN.
What is the InChIKey of 4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide?
The InChIKey is LSXKXRBDKWANQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-20(11-5-9-16(19)21)17-14(2)7-4-8-15(17)13-22-12-6-10-18/h4,7-8H,3,5-6,9-13,18H2,1-2H3,(H2,19,21).
What are the key properties of 4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide?
4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide has a molecular weight of 307.44 g/mol, XLogP of 1.95, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide is sourced from PubChem (CID 70424934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).