2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide

C17H28N2O4S — CID 119753811

IUPAC2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide
SMILESCCC(C)C(N)C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S/c1-5-13(2)16(18)17(20)19(3)11-6-12-23-14-7-9-15(10-8-14)24(4,21)22/h7-10,13,16H,5-6,11-12,18H2,1-4H3
InChIKeyNLVUOTDINGPJOS-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.69
Rot. Bonds9

About 2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide

2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide (PubChem CID 119753811) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide
PubChem CID119753811
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide
SMILESCCC(C)C(N)C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S/c1-5-13(2)16(18)17(20)19(3)11-6-12-23-14-7-9-15(10-8-14)24(4,21)22/h7-10,13,16H,5-6,11-12,18H2,1-4H3
InChIKeyNLVUOTDINGPJOS-UHFFFAOYSA-N
XLogP1.69
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306168
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide
CID 119306189
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
CID 119306199
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481
(2S)-2-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306134
6-(4-methylsulfonylphenoxy)hexan-3-one
CID 106801965
5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride
CID 120626191
2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858979
2-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]acetic acid
CID 119134958
2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
CID 119956686

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide (CID 119753811) is 2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide is CCC(C)C(N)C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide?
The InChIKey is NLVUOTDINGPJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-5-13(2)16(18)17(20)19(3)11-6-12-23-14-7-9-15(10-8-14)24(4,21)22/h7-10,13,16H,5-6,11-12,18H2,1-4H3.
What are the key properties of 2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide?
2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide has a molecular weight of 356.49 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide is sourced from PubChem (CID 119753811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).