2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide

C15H25N3O2 — CID 61486228

IUPAC2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide
SMILESCCN(CC(=O)NCCCOC)c1ccc(CN)cc1
InChIInChI=1S/C15H25N3O2/c1-3-18(12-15(19)17-9-4-10-20-2)14-7-5-13(11-16)6-8-14/h5-8H,3-4,9-12,16H2,1-2H3,(H,17,19)
InChIKeyVCAXUMOGEWQGNG-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.12
Rot. Bonds9

About 2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide

2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide (PubChem CID 61486228) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide
PubChem CID61486228
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide
SMILESCCN(CC(=O)NCCCOC)c1ccc(CN)cc1
InChIInChI=1S/C15H25N3O2/c1-3-18(12-15(19)17-9-4-10-20-2)14-7-5-13(11-16)6-8-14/h5-8H,3-4,9-12,16H2,1-2H3,(H,17,19)
InChIKeyVCAXUMOGEWQGNG-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61488230
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827
2-[4-(aminomethyl)-N-ethylanilino]acetamide
CID 43275827
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide
CID 63070315
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide
CID 113175889
2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
CID 55173821
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxypropyl)acetamide
CID 78827820

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide (CID 61486228) is 2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide is CCN(CC(=O)NCCCOC)c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide?
The InChIKey is VCAXUMOGEWQGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-18(12-15(19)17-9-4-10-20-2)14-7-5-13(11-16)6-8-14/h5-8H,3-4,9-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide?
2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 61486228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).