N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide

C13H20N2O2S — CID 79394046

IUPACN-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide
SMILESO=C(CCCNCC(O)c1cccs1)NC1CC1
InChIInChI=1S/C13H20N2O2S/c16-11(12-3-2-8-18-12)9-14-7-1-4-13(17)15-10-5-6-10/h2-3,8,10-11,14,16H,1,4-7,9H2,(H,15,17)
InChIKeyNZKXUQCLBPAQMV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.43
Rot. Bonds8

About N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide

N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide (PubChem CID 79394046) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide
PubChem CID79394046
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide
SMILESO=C(CCCNCC(O)c1cccs1)NC1CC1
InChIInChI=1S/C13H20N2O2S/c16-11(12-3-2-8-18-12)9-14-7-1-4-13(17)15-10-5-6-10/h2-3,8,10-11,14,16H,1,4-7,9H2,(H,15,17)
InChIKeyNZKXUQCLBPAQMV-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide
CID 113227942
N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide
CID 79378036
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide
CID 113221919
N-cyclopropyl-4-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]butanamide
CID 111348850
2-(2-cyclohexyloxyethylamino)-1-thiophen-2-ylethanol
CID 63827685
N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 79394060
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)butanamide
CID 134057481
N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride
CID 71783389

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide (CID 79394046) is N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide is O=C(CCCNCC(O)c1cccs1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide?
The InChIKey is NZKXUQCLBPAQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c16-11(12-3-2-8-18-12)9-14-7-1-4-13(17)15-10-5-6-10/h2-3,8,10-11,14,16H,1,4-7,9H2,(H,15,17).
What are the key properties of N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide?
N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide has a molecular weight of 268.38 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide is sourced from PubChem (CID 79394046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).