4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide

C17H28N2O2 — CID 120563196

IUPAC4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide
SMILESCc1ccc(NC(=O)CCC(C)N)cc1OCCC(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)9-10-21-16-11-15(7-5-13(16)3)19-17(20)8-6-14(4)18/h5,7,11-12,14H,6,8-10,18H2,1-4H3,(H,19,20)
InChIKeySHBLGNWCIUPIKY-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.49
Rot. Bonds8

About 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide

4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide (PubChem CID 120563196) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide
PubChem CID120563196
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide
SMILESCc1ccc(NC(=O)CCC(C)N)cc1OCCC(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)9-10-21-16-11-15(7-5-13(16)3)19-17(20)8-6-14(4)18/h5,7,11-12,14H,6,8-10,18H2,1-4H3,(H,19,20)
InChIKeySHBLGNWCIUPIKY-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride
CID 119332237
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea
CID 111443385
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide
CID 119798718
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
4-[2-[5-bromo-2-(3-methylbutoxy)benzoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 17350890
4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 120564262
4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide
CID 120563222

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide?
The IUPAC name of 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide (CID 120563196) is 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide is Cc1ccc(NC(=O)CCC(C)N)cc1OCCC(C)C.
What is the InChIKey of 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide?
The InChIKey is SHBLGNWCIUPIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)9-10-21-16-11-15(7-5-13(16)3)19-17(20)8-6-14(4)18/h5,7,11-12,14H,6,8-10,18H2,1-4H3,(H,19,20).
What are the key properties of 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide?
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide has a molecular weight of 292.42 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide is sourced from PubChem (CID 120563196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).