4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide

C15H24N2O4S — CID 119306199

IUPAC4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
SMILESCN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)CCCN
InChIInChI=1S/C15H24N2O4S/c1-17(15(18)5-3-10-16)11-4-12-21-13-6-8-14(9-7-13)22(2,19)20/h6-9H,3-5,10-12,16H2,1-2H3
InChIKeyZPSYZLKXPXNTCJ-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.06
Rot. Bonds9

About 4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide

4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide (PubChem CID 119306199) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
PubChem CID119306199
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
SMILESCN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)CCCN
InChIInChI=1S/C15H24N2O4S/c1-17(15(18)5-3-10-16)11-4-12-21-13-6-8-14(9-7-13)22(2,19)20/h6-9H,3-5,10-12,16H2,1-2H3
InChIKeyZPSYZLKXPXNTCJ-UHFFFAOYSA-N
XLogP1.06
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.06
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

N-(2-cyanoethyl)-N-methyl-3-(4-methylsulfonylphenoxy)propanamide
CID 43806975
(2S)-2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306168
N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide
CID 51096284
N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide
CID 119306189
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
4-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]butanoic acid
CID 119134959
2-methyl-3-[methyl-[5-(4-methylsulfonylphenoxy)pentanoyl]amino]propanoic acid
CID 122111798
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190
2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide
CID 119753811
2-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]acetic acid
CID 119134958
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide?
The IUPAC name of 4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide (CID 119306199) is 4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide?
The canonical SMILES for 4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide is CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)CCCN.
What is the InChIKey of 4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide?
The InChIKey is ZPSYZLKXPXNTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-17(15(18)5-3-10-16)11-4-12-21-13-6-8-14(9-7-13)22(2,19)20/h6-9H,3-5,10-12,16H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide?
4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide has a molecular weight of 328.43 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide is sourced from PubChem (CID 119306199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).