3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide

C17H22N2OS — CID 75468778

IUPAC3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H22N2OS/c1-3-19(12-15-10-7-11-21-15)17(20)13(2)16(18)14-8-5-4-6-9-14/h4-11,13,16H,3,12,18H2,1-2H3
InChIKeyUMTRBIKZTWMGPA-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.43
Rot. Bonds6

About 3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide

3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 75468778) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID75468778
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H22N2OS/c1-3-19(12-15-10-7-11-21-15)17(20)13(2)16(18)14-8-5-4-6-9-14/h4-11,13,16H,3,12,18H2,1-2H3
InChIKeyUMTRBIKZTWMGPA-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 80552219
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide
CID 155945653
N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 138547765
3-[4-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438323

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide (CID 75468778) is 3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide is CCN(Cc1cccs1)C(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is UMTRBIKZTWMGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-19(12-15-10-7-11-21-15)17(20)13(2)16(18)14-8-5-4-6-9-14/h4-11,13,16H,3,12,18H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 302.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 75468778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).