3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide

C14H24N2OS — CID 80526828

IUPAC3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCC(C)(C)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-11(2)16-13(17)7-8-15-10-14(3,4)12-6-5-9-18-12/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,16,17)
InChIKeyDLHZBLHZHHJZSD-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.53
Rot. Bonds7

About 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide

3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide (PubChem CID 80526828) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide
PubChem CID80526828
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCC(C)(C)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-11(2)16-13(17)7-8-15-10-14(3,4)12-6-5-9-18-12/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,16,17)
InChIKeyDLHZBLHZHHJZSD-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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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Related Compounds

N-tert-butyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80527486
3-(2,2-dimethylpropylamino)-N-propan-2-ylpropanamide
CID 62625182
3-amino-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115241897
3,3-dimethyl-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115220479
2-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]butanoic acid
CID 115250143
N-but-3-ynyl-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526663
(E)-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]but-2-enoic acid
CID 103257592
N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963907
N-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80526744
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
3-methyl-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]butanoic acid
CID 80527621
2-methyl-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 80526378

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide (CID 80526828) is 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCC(C)(C)c1cccs1.
What is the InChIKey of 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is DLHZBLHZHHJZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11(2)16-13(17)7-8-15-10-14(3,4)12-6-5-9-18-12/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,16,17).
What are the key properties of 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide?
3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 268.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 80526828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).