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

C13H20N2O2 — CID 82017203

IUPAC5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)CCC(C)CN)cc1
InChIInChI=1S/C13H20N2O2/c1-10(9-14)3-8-13(16)15-11-4-6-12(17-2)7-5-11/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyOTRRLVLGIOSTGQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds6

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

5-amino-N-(4-methoxyphenyl)-4-methylpentanamide (PubChem CID 82017203) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-amino-N-(4-methoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
PubChem CID82017203
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)CCC(C)CN)cc1
InChIInChI=1S/C13H20N2O2/c1-10(9-14)3-8-13(16)15-11-4-6-12(17-2)7-5-11/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyOTRRLVLGIOSTGQ-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

5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
CID 82682498
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 66225221
5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide
CID 82011170
4-[(5-amino-4-methylpentanoyl)amino]benzoic acid
CID 82011492
5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 102695232
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
methyl 5-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzoate
CID 82011968
5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82013444
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
CID 10752233
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
methyl 3-[(5-amino-4-methylpentanoyl)amino]benzoate
CID 82012045
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methoxyphenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(4-methoxyphenyl)-4-methylpentanamide (CID 82017203) is 5-amino-N-(4-methoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4-methoxyphenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(4-methoxyphenyl)-4-methylpentanamide is COc1ccc(NC(=O)CCC(C)CN)cc1.
What is the InChIKey of 5-amino-N-(4-methoxyphenyl)-4-methylpentanamide?
The InChIKey is OTRRLVLGIOSTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(9-14)3-8-13(16)15-11-4-6-12(17-2)7-5-11/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-N-(4-methoxyphenyl)-4-methylpentanamide?
5-amino-N-(4-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-(4-methoxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 82017203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).