2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride

C19H25ClN2OS — CID 119792182

IUPAC2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-14-9-10-23-19(14)17(11-15-5-3-2-4-6-15)21-18(22)13-20-12-16-7-8-16;/h2-6,9-10,16-17,20H,7-8,11-13H2,1H3,(H,21,22);1H
InChIKeyQHVPBIQNFJJQDV-UHFFFAOYSA-N
MW364.94 g/mol
LogP3.88
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride (PubChem CID 119792182) has the molecular formula C19H25ClN2OS and a molecular weight of 364.94 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride
PubChem CID119792182
Molecular FormulaC19H25ClN2OS
Molecular Weight364.94 g/mol
Exact Mass364.14
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-14-9-10-23-19(14)17(11-15-5-3-2-4-6-15)21-18(22)13-20-12-16-7-8-16;/h2-6,9-10,16-17,20H,7-8,11-13H2,1H3,(H,21,22);1H
InChIKeyQHVPBIQNFJJQDV-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673728
(2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide
CID 119328368
(2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide
CID 120793910
2-(cyclopropylmethylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766334
2-(cyclopropylmethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762010
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
methyl 4-[[2-(cyclopropylmethylamino)acetyl]amino]-4-phenylbutanoate;hydrochloride
CID 119777938
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 56793656
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119687041
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
CID 166294961
2-(cyclopropylmethylamino)-N-(2-phenoxy-1-phenylethyl)acetamide;hydrochloride
CID 119779869

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride (CID 119792182) is 2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride is Cc1ccsc1C(Cc1ccccc1)NC(=O)CNCC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride?
The InChIKey is QHVPBIQNFJJQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS.ClH/c1-14-9-10-23-19(14)17(11-15-5-3-2-4-6-15)21-18(22)13-20-12-16-7-8-16;/h2-6,9-10,16-17,20H,7-8,11-13H2,1H3,(H,21,22);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride has a molecular weight of 364.94 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride is sourced from PubChem (CID 119792182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).