2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide

C19H32N2O4S — CID 60552437

IUPAC2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide
SMILESCCN(CCCNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C19H32N2O4S/c1-7-21(26(6,23)24)14-8-13-20-18(22)15(2)25-17-11-9-16(10-12-17)19(3,4)5/h9-12,15H,7-8,13-14H2,1-6H3,(H,20,22)
InChIKeyLMECZRBOKHIORD-UHFFFAOYSA-N
MW384.54 g/mol
LogP2.54
Rot. Bonds9

About 2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide

2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide (PubChem CID 60552437) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide
PubChem CID60552437
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide
SMILESCCN(CCCNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C19H32N2O4S/c1-7-21(26(6,23)24)14-8-13-20-18(22)15(2)25-17-11-9-16(10-12-17)19(3,4)5/h9-12,15H,7-8,13-14H2,1-6H3,(H,20,22)
InChIKeyLMECZRBOKHIORD-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133185593
(2S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100561256
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391638
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
CID 51176280
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide
CID 119997217
tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
CID 63788881
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171
2-[2-[2-(4-tert-butylphenoxy)propanoylamino]ethylsulfanyl]acetic acid
CID 119241322
2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445906

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide (CID 60552437) is 2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide is CCN(CCCNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide?
The InChIKey is LMECZRBOKHIORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-7-21(26(6,23)24)14-8-13-20-18(22)15(2)25-17-11-9-16(10-12-17)19(3,4)5/h9-12,15H,7-8,13-14H2,1-6H3,(H,20,22).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide?
2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide has a molecular weight of 384.54 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide is sourced from PubChem (CID 60552437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).