5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide

C16H26N2O2 — CID 82011195

IUPAC5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
SMILESCc1cccc(OCCN(C)C(=O)CCC(C)CN)c1
InChIInChI=1S/C16H26N2O2/c1-13-5-4-6-15(11-13)20-10-9-18(3)16(19)8-7-14(2)12-17/h4-6,11,14H,7-10,12,17H2,1-3H3
InChIKeyOEJZCNPUJCVWEE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds8

About 5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide

5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide (PubChem CID 82011195) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
PubChem CID82011195
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
SMILESCc1cccc(OCCN(C)C(=O)CCC(C)CN)c1
InChIInChI=1S/C16H26N2O2/c1-13-5-4-6-15(11-13)20-10-9-18(3)16(19)8-7-14(2)12-17/h4-6,11,14H,7-10,12,17H2,1-3H3
InChIKeyOEJZCNPUJCVWEE-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
CID 82013924
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 115691597
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119949182
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide?
The IUPAC name of 5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide (CID 82011195) is 5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide.
What is the SMILES notation for 5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide?
The canonical SMILES for 5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide is Cc1cccc(OCCN(C)C(=O)CCC(C)CN)c1.
What is the InChIKey of 5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide?
The InChIKey is OEJZCNPUJCVWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-5-4-6-15(11-13)20-10-9-18(3)16(19)8-7-14(2)12-17/h4-6,11,14H,7-10,12,17H2,1-3H3.
What are the key properties of 5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide?
5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide is sourced from PubChem (CID 82011195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).