5-amino-N-(3-methoxyphenyl)-4-methylpentanamide

C13H20N2O2 — CID 82682498

IUPAC5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
SMILESCOc1cccc(NC(=O)CCC(C)CN)c1
InChIInChI=1S/C13H20N2O2/c1-10(9-14)6-7-13(16)15-11-4-3-5-12(8-11)17-2/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyABSRSRWMVUCUKX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds6

About 5-amino-N-(3-methoxyphenyl)-4-methylpentanamide

5-amino-N-(3-methoxyphenyl)-4-methylpentanamide (PubChem CID 82682498) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-amino-N-(3-methoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
PubChem CID82682498
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
SMILESCOc1cccc(NC(=O)CCC(C)CN)c1
InChIInChI=1S/C13H20N2O2/c1-10(9-14)6-7-13(16)15-11-4-3-5-12(8-11)17-2/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyABSRSRWMVUCUKX-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
methyl 3-[(5-amino-4-methylpentanoyl)amino]benzoate
CID 82012045
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea
CID 54992248
4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide
CID 94264248
5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 102695232
5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 82011163
3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122930
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 112516205
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methoxyphenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(3-methoxyphenyl)-4-methylpentanamide (CID 82682498) is 5-amino-N-(3-methoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(3-methoxyphenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(3-methoxyphenyl)-4-methylpentanamide is COc1cccc(NC(=O)CCC(C)CN)c1.
What is the InChIKey of 5-amino-N-(3-methoxyphenyl)-4-methylpentanamide?
The InChIKey is ABSRSRWMVUCUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(9-14)6-7-13(16)15-11-4-3-5-12(8-11)17-2/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-N-(3-methoxyphenyl)-4-methylpentanamide?
5-amino-N-(3-methoxyphenyl)-4-methylpentanamide has a molecular weight of 236.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methoxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 82682498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).