(2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide

C15H30N2O4S — CID 160980744

IUPAC(2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide
SMILESCC(C)CCOCCOCC(=O)N[C@@H](CSC(C)C)C(N)=O
InChIInChI=1S/C15H30N2O4S/c1-11(2)5-6-20-7-8-21-9-14(18)17-13(15(16)19)10-22-12(3)4/h11-13H,5-10H2,1-4H3,(H2,16,19)(H,17,18)/t13-/m0/s1
InChIKeyHTPREJORTICXIQ-ZDUSSCGKSA-N
MW334.48 g/mol
LogP1.18
Rot. Bonds13

About (2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide

(2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide (PubChem CID 160980744) has the molecular formula C15H30N2O4S and a molecular weight of 334.48 g/mol. Its IUPAC name is (2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide
PubChem CID160980744
Molecular FormulaC15H30N2O4S
Molecular Weight334.48 g/mol
Exact Mass334.19
IUPAC Name(2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide
SMILESCC(C)CCOCCOCC(=O)N[C@@H](CSC(C)C)C(N)=O
InChIInChI=1S/C15H30N2O4S/c1-11(2)5-6-20-7-8-21-9-14(18)17-13(15(16)19)10-22-12(3)4/h11-13H,5-10H2,1-4H3,(H2,16,19)(H,17,18)/t13-/m0/s1
InChIKeyHTPREJORTICXIQ-ZDUSSCGKSA-N
XLogP1.18
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide
CID 56801877
(2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide
CID 59602859
(2R)-2-amino-N-[2-(3-methylbutoxy)ethyl]-3-methylsulfanylpropanamide
CID 89843310
(2S)-2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide
CID 124094294
2-[[2-[2-(3-Methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide
CID 153389540
(2S)-2-[[2-(2-butoxyethoxy)acetyl]amino]-3-propan-2-ylsulfanylpropanamide
CID 153389541
(2S)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide
CID 160980745
S-methyl 2-[[2-[[2-[[2-(2-methylpropoxy)acetyl]amino]acetyl]amino]acetyl]amino]ethanethioate
CID 166766246
(2S)-2-amino-2-ethylsulfanyl-N-[2-[2-[2-oxo-2-(2-propoxyethylamino)ethoxy]ethoxy]ethyl]acetamide
CID 176870113
N-[2-(3-methylbutoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908582
2-(2-methoxyethoxy)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide
CID 95598731
2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide
CID 95598732

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide (CID 160980744) is (2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide is CC(C)CCOCCOCC(=O)N[C@@H](CSC(C)C)C(N)=O.
What is the InChIKey of (2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide?
The InChIKey is HTPREJORTICXIQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O4S/c1-11(2)5-6-20-7-8-21-9-14(18)17-13(15(16)19)10-22-12(3)4/h11-13H,5-10H2,1-4H3,(H2,16,19)(H,17,18)/t13-/m0/s1.
What are the key properties of (2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide?
(2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide has a molecular weight of 334.48 g/mol, XLogP of 1.18, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide is sourced from PubChem (CID 160980744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).