N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide

C17H28N2O2 — CID 61489179

IUPACN-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
SMILESCc1ccc(OCC(C)NCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-12(2)15(5)19-17(20)10-18-14(4)11-21-16-8-6-13(3)7-9-16/h6-9,12,14-15,18H,10-11H2,1-5H3,(H,19,20)
InChIKeyJFLCASUFRHFICZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.51
Rot. Bonds8

About N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide

N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide (PubChem CID 61489179) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
PubChem CID61489179
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
SMILESCc1ccc(OCC(C)NCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-12(2)15(5)19-17(20)10-18-14(4)11-21-16-8-6-13(3)7-9-16/h6-9,12,14-15,18H,10-11H2,1-5H3,(H,19,20)
InChIKeyJFLCASUFRHFICZ-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide
CID 61486833
2-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]prop-2-enoic acid
CID 103242898
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
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
N-(3-methylbutan-2-yl)-2-[2-(4-methylphenoxy)ethylsulfanyl]acetamide
CID 134016910
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2,2-dimethyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanoic acid
CID 79623844
6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol
CID 107703257
3-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]butanoic acid
CID 103242905
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide (CID 61489179) is N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide is Cc1ccc(OCC(C)NCC(=O)NC(C)C(C)C)cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide?
The InChIKey is JFLCASUFRHFICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)15(5)19-17(20)10-18-14(4)11-21-16-8-6-13(3)7-9-16/h6-9,12,14-15,18H,10-11H2,1-5H3,(H,19,20).
What are the key properties of N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide?
N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide is sourced from PubChem (CID 61489179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).