2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide

C16H26N2O2 — CID 60946640

IUPAC2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
SMILESCCCCC(N)C(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-9-15(17)16(19)18(3)10-11-20-14-8-6-7-13(2)12-14/h6-8,12,15H,4-5,9-11,17H2,1-3H3
InChIKeyMLZNCIJPOZHNMP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds8

About 2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide

2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide (PubChem CID 60946640) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
PubChem CID60946640
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
SMILESCCCCC(N)C(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-9-15(17)16(19)18(3)10-11-20-14-8-6-7-13(2)12-14/h6-8,12,15H,4-5,9-11,17H2,1-3H3
InChIKeyMLZNCIJPOZHNMP-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831526
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657
2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695698
N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine
CID 5262030
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
CID 103831964

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide?
The IUPAC name of 2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide (CID 60946640) is 2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide?
The canonical SMILES for 2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide is CCCCC(N)C(=O)N(C)CCOc1cccc(C)c1.
What is the InChIKey of 2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide?
The InChIKey is MLZNCIJPOZHNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-9-15(17)16(19)18(3)10-11-20-14-8-6-7-13(2)12-14/h6-8,12,15H,4-5,9-11,17H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide?
2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide has a molecular weight of 278.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide is sourced from PubChem (CID 60946640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).