2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide

C15H24N2O2 — CID 60673041

IUPAC2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-13(5-2)17-15(18)11-16-10-12-6-8-14(19-3)9-7-12/h6-9,13,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyYRYYUMOGOXWMOW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds8

About 2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide

2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide (PubChem CID 60673041) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide
PubChem CID60673041
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-13(5-2)17-15(18)11-16-10-12-6-8-14(19-3)9-7-12/h6-9,13,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyYRYYUMOGOXWMOW-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide
CID 54957107
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
1-[(4-methoxyphenyl)methylamino]-3-methylbutan-2-one
CID 177295585
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026
2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide
CID 48634166
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2590405
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54837767
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide (CID 60673041) is 2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNCc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide?
The InChIKey is YRYYUMOGOXWMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-13(5-2)17-15(18)11-16-10-12-6-8-14(19-3)9-7-12/h6-9,13,16H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide?
2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide has a molecular weight of 264.37 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 60673041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).