2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide

C16H27N3O2 — CID 106033671

IUPAC2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
SMILESCC(C)N(C)CCCNC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C16H27N3O2/c1-13(2)19(3)10-4-9-18-16(20)12-21-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-12,17H2,1-3H3,(H,18,20)
InChIKeyBRRDPWQQPMVPRH-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.37
Rot. Bonds9

About 2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide

2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide (PubChem CID 106033671) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
PubChem CID106033671
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
SMILESCC(C)N(C)CCCNC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C16H27N3O2/c1-13(2)19(3)10-4-9-18-16(20)12-21-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-12,17H2,1-3H3,(H,18,20)
InChIKeyBRRDPWQQPMVPRH-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.37
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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Related Compounds

2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033043
methyl 4-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]butanoate
CID 106484765
2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104758382
2-[4-(aminomethyl)phenoxy]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 43545869
2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945610
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
CID 16774708
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 62634876
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
2-[4-(cyanomethyl)phenoxy]-N-(3-cyanopropyl)acetamide
CID 75454453

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide (CID 106033671) is 2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide is CC(C)N(C)CCCNC(=O)COc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The InChIKey is BRRDPWQQPMVPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(2)19(3)10-4-9-18-16(20)12-21-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-12,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide is sourced from PubChem (CID 106033671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).