N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide

C18H24N2OS — CID 3031098

IUPACN-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide
SMILESCCC(=O)N(CC(C)NCCc1ccccc1)c1cccs1
InChIInChI=1S/C18H24N2OS/c1-3-17(21)20(18-10-7-13-22-18)14-15(2)19-12-11-16-8-5-4-6-9-16/h4-10,13,15,19H,3,11-12,14H2,1-2H3
InChIKeyUTOJBPQIPFYJDQ-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.71
Rot. Bonds8

About N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide

N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide (PubChem CID 3031098) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide
PubChem CID3031098
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide
SMILESCCC(=O)N(CC(C)NCCc1ccccc1)c1cccs1
InChIInChI=1S/C18H24N2OS/c1-3-17(21)20(18-10-7-13-22-18)14-15(2)19-12-11-16-8-5-4-6-9-16/h4-10,13,15,19H,3,11-12,14H2,1-2H3
InChIKeyUTOJBPQIPFYJDQ-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride
CID 24843722
ethyl 4-(2-phenylethylamino)pentanoate
CID 67423841
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol
CID 82314561
3-(2-phenylethylamino)butanethioamide
CID 112508005
1-chloro-N-(2-phenylethyl)propan-2-amine
CID 65025735
(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
CID 97019379
[4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid
CID 57122019
ethyl 3-(4-phenylbutan-2-ylamino)propanoate
CID 24773124
N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide
CID 109013097
2-methyl-3-(2-phenylethylamino)butanoic acid
CID 79391507

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide (CID 3031098) is N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide is CCC(=O)N(CC(C)NCCc1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide?
The InChIKey is UTOJBPQIPFYJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-17(21)20(18-10-7-13-22-18)14-15(2)19-12-11-16-8-5-4-6-9-16/h4-10,13,15,19H,3,11-12,14H2,1-2H3.
What are the key properties of N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide?
N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide has a molecular weight of 316.47 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide is sourced from PubChem (CID 3031098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).