N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide

C14H24N2OS — CID 54977224

IUPACN-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1cc(C)sc1C
InChIInChI=1S/C14H24N2OS/c1-5-10(2)16-14(17)6-7-15-9-13-8-11(3)18-12(13)4/h8,10,15H,5-7,9H2,1-4H3,(H,16,17)
InChIKeyYCCPAJZWZOAXEN-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.76
Rot. Bonds7

About N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide

N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide (PubChem CID 54977224) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide
PubChem CID54977224
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1cc(C)sc1C
InChIInChI=1S/C14H24N2OS/c1-5-10(2)16-14(17)6-7-15-9-13-8-11(3)18-12(13)4/h8,10,15H,5-7,9H2,1-4H3,(H,16,17)
InChIKeyYCCPAJZWZOAXEN-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide (CID 54977224) is N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide is CCC(C)NC(=O)CCNCc1cc(C)sc1C.
What is the InChIKey of N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide?
The InChIKey is YCCPAJZWZOAXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-10(2)16-14(17)6-7-15-9-13-8-11(3)18-12(13)4/h8,10,15H,5-7,9H2,1-4H3,(H,16,17).
What are the key properties of N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide?
N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide has a molecular weight of 268.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide is sourced from PubChem (CID 54977224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).