N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide

C17H28N2O2 — CID 54817631

IUPACN-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-4-5-6-7-11-21-16-10-8-9-15(12-16)19-17(20)13-18-14(2)3/h8-10,12,14,18H,4-7,11,13H2,1-3H3,(H,19,20)
InChIKeyODQJZOLKRWBTGY-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.58
Rot. Bonds10

About N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide

N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 54817631) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID54817631
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-4-5-6-7-11-21-16-10-8-9-15(12-16)19-17(20)13-18-14(2)3/h8-10,12,14,18H,4-7,11,13H2,1-3H3,(H,19,20)
InChIKeyODQJZOLKRWBTGY-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
CID 54813824
2-(tert-butylamino)-N-(3-heptoxyphenyl)acetamide
CID 54813608
3-[[2-(3-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54823185
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
CID 54818482
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54829043
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide (CID 54817631) is N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide is CCCCCCOc1cccc(NC(=O)CNC(C)C)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is ODQJZOLKRWBTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-6-7-11-21-16-10-8-9-15(12-16)19-17(20)13-18-14(2)3/h8-10,12,14,18H,4-7,11,13H2,1-3H3,(H,19,20).
What are the key properties of N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide?
N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 292.42 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 54817631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).