2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide

C17H28N2O2 — CID 61486833

IUPAC2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNC(C)COc1ccc(C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-15(6-2)19-17(20)11-18-14(4)12-21-16-9-7-13(3)8-10-16/h7-10,14-15,18H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyCZXYBOPAMDVOSY-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.66
Rot. Bonds9

About 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide

2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide (PubChem CID 61486833) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide
PubChem CID61486833
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNC(C)COc1ccc(C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-15(6-2)19-17(20)11-18-14(4)12-21-16-9-7-13(3)8-10-16/h7-10,14-15,18H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyCZXYBOPAMDVOSY-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
CID 61489179
2-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]prop-2-enoic acid
CID 103242898
2-(1-methoxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 60672224
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate
CID 61168707
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
2,3-dichloro-N-[1-(4-methylphenoxy)propan-2-yl]prop-2-en-1-amine
CID 79168016
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
CID 114492877
2,2-dimethyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanoic acid
CID 79623844
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide (CID 61486833) is 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNC(C)COc1ccc(C)cc1.
What is the InChIKey of 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide?
The InChIKey is CZXYBOPAMDVOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-15(6-2)19-17(20)11-18-14(4)12-21-16-9-7-13(3)8-10-16/h7-10,14-15,18H,5-6,11-12H2,1-4H3,(H,19,20).
What are the key properties of 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide?
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61486833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).