N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide

C16H25NO2 — CID 86909753

IUPACN,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide
SMILESCCCC(C)C(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-5-6-14(3)16(18)17(4)11-12-19-15-9-7-13(2)8-10-15/h7-10,14H,5-6,11-12H2,1-4H3
InChIKeyWQZSIMFXKVSWDQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.27
Rot. Bonds7

About N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide

N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide (PubChem CID 86909753) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide
PubChem CID86909753
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide
SMILESCCCC(C)C(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-5-6-14(3)16(18)17(4)11-12-19-15-9-7-13(2)8-10-15/h7-10,14H,5-6,11-12H2,1-4H3
InChIKeyWQZSIMFXKVSWDQ-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
CID 93367597
3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119695394
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286550
2-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695424
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide?
The IUPAC name of N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide (CID 86909753) is N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide.
What is the SMILES notation for N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide?
The canonical SMILES for N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide is CCCC(C)C(=O)N(C)CCOc1ccc(C)cc1.
What is the InChIKey of N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide?
The InChIKey is WQZSIMFXKVSWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-6-14(3)16(18)17(4)11-12-19-15-9-7-13(2)8-10-15/h7-10,14H,5-6,11-12H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide?
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide has a molecular weight of 263.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide is sourced from PubChem (CID 86909753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).