N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide

C21H25ClN2O3 — CID 110623936

IUPACN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCC(c2cccc(Cl)c2)N(C)C)cc1
InChIInChI=1S/C21H25ClN2O3/c1-24(2)19(16-5-4-6-17(22)13-16)14-23-21(26)12-11-20(25)15-7-9-18(27-3)10-8-15/h4-10,13,19H,11-12,14H2,1-3H3,(H,23,26)
InChIKeyAUICHGLXFILJBN-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.73
Rot. Bonds9

About N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide

N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 110623936) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID110623936
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCC(c2cccc(Cl)c2)N(C)C)cc1
InChIInChI=1S/C21H25ClN2O3/c1-24(2)19(16-5-4-6-17(22)13-16)14-23-21(26)12-11-20(25)15-7-9-18(27-3)10-8-15/h4-10,13,19H,11-12,14H2,1-3H3,(H,23,26)
InChIKeyAUICHGLXFILJBN-UHFFFAOYSA-N
XLogP3.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110621860
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 42959835
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 112506773
N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119528417
4-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 112764499
methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
CID 99788340
4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565
1-(3-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 41318353
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796131

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide (CID 110623936) is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)NCC(c2cccc(Cl)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is AUICHGLXFILJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-24(2)19(16-5-4-6-17(22)13-16)14-23-21(26)12-11-20(25)15-7-9-18(27-3)10-8-15/h4-10,13,19H,11-12,14H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 388.90 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 110623936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).