2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide

C22H28ClN3O — CID 112801601

IUPAC2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCN(C)C(CNC(=O)CNC(c1ccc(Cl)cc1)C1CC1)c1ccccc1
InChIInChI=1S/C22H28ClN3O/c1-26(2)20(16-6-4-3-5-7-16)14-24-21(27)15-25-22(17-8-9-17)18-10-12-19(23)13-11-18/h3-7,10-13,17,20,22,25H,8-9,14-15H2,1-2H3,(H,24,27)
InChIKeyRYXPZIDASWLISQ-UHFFFAOYSA-N
MW385.94 g/mol
LogP3.80
Rot. Bonds9

About 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide

2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide (PubChem CID 112801601) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
PubChem CID112801601
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCN(C)C(CNC(=O)CNC(c1ccc(Cl)cc1)C1CC1)c1ccccc1
InChIInChI=1S/C22H28ClN3O/c1-26(2)20(16-6-4-3-5-7-16)14-24-21(27)15-25-22(17-8-9-17)18-10-12-19(23)13-11-18/h3-7,10-13,17,20,22,25H,8-9,14-15H2,1-2H3,(H,24,27)
InChIKeyRYXPZIDASWLISQ-UHFFFAOYSA-N
XLogP3.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
2-(benzhydrylamino)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112799826
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 112841277
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]acetamide
CID 112797009
2-[[cyclopropyl(phenyl)methyl]amino]-N-ethyl-N-methylacetamide
CID 113304647
(2S,3S)-2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100333
2-amino-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]acetamide
CID 61251719
N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide
CID 112806311
N-[2-(dimethylamino)-2-phenylethyl]-2-(propylamino)acetamide
CID 60687431

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The IUPAC name of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide (CID 112801601) is 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The canonical SMILES for 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide is CN(C)C(CNC(=O)CNC(c1ccc(Cl)cc1)C1CC1)c1ccccc1.
What is the InChIKey of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The InChIKey is RYXPZIDASWLISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-26(2)20(16-6-4-3-5-7-16)14-24-21(27)15-25-22(17-8-9-17)18-10-12-19(23)13-11-18/h3-7,10-13,17,20,22,25H,8-9,14-15H2,1-2H3,(H,24,27).
What are the key properties of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide has a molecular weight of 385.94 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide is sourced from PubChem (CID 112801601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).