N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide

C15H31N3O4S — CID 170123968

IUPACN-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide
SMILESCC(C)CCNC(=O)CCOCCNC(=O)CCOCCNS
InChIInChI=1S/C15H31N3O4S/c1-13(2)3-6-16-14(19)4-9-21-11-7-17-15(20)5-10-22-12-8-18-23/h13,18,23H,3-12H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyGKWFCJBCYFXMRA-UHFFFAOYSA-N
MW349.50 g/mol
LogP0.51
Rot. Bonds15

About N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide

N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide (PubChem CID 170123968) has the molecular formula C15H31N3O4S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide
PubChem CID170123968
Molecular FormulaC15H31N3O4S
Molecular Weight349.50 g/mol
Exact Mass349.20
IUPAC NameN-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide
SMILESCC(C)CCNC(=O)CCOCCNC(=O)CCOCCNS
InChIInChI=1S/C15H31N3O4S/c1-13(2)3-6-16-14(19)4-9-21-11-7-17-15(20)5-10-22-12-8-18-23/h13,18,23H,3-12H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyGKWFCJBCYFXMRA-UHFFFAOYSA-N
XLogP0.51
TPSA88.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
N-(3-methylbutyl)-3-[3-[3-[2-(1-sulfanylethylamino)ethoxy]propanoylamino]propoxy]propanamide
CID 170022349
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide?
The IUPAC name of N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide (CID 170123968) is N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide is CC(C)CCNC(=O)CCOCCNC(=O)CCOCCNS.
What is the InChIKey of N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide?
The InChIKey is GKWFCJBCYFXMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O4S/c1-13(2)3-6-16-14(19)4-9-21-11-7-17-15(20)5-10-22-12-8-18-23/h13,18,23H,3-12H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide?
N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide has a molecular weight of 349.50 g/mol, XLogP of 0.51, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide is sourced from PubChem (CID 170123968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).