2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide

C16H27N3O2 — CID 81496851

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C)CCC(N)C(C)C
InChIInChI=1S/C16H27N3O2/c1-12(2)13(17)9-10-19(3)11-16(20)18-14-7-5-6-8-15(14)21-4/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyYBWPULQJTVULOC-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.94
Rot. Bonds8

About 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide

2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 81496851) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID81496851
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C)CCC(N)C(C)C
InChIInChI=1S/C16H27N3O2/c1-12(2)13(17)9-10-19(3)11-16(20)18-14-7-5-6-8-15(14)21-4/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyYBWPULQJTVULOC-UHFFFAOYSA-N
XLogP1.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide
CID 81491089
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 62016325
(2R)-2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119267268
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpentanamide;hydrochloride
CID 119267711
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 8005528
3-[2-hydroxyethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 62020448
2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 47533845
2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 55175904
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide (CID 81496851) is 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(C)CCC(N)C(C)C.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is YBWPULQJTVULOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)13(17)9-10-19(3)11-16(20)18-14-7-5-6-8-15(14)21-4/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide?
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 81496851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).