N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide

C23H29N3O2 — CID 55717458

IUPACN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C
InChIInChI=1S/C23H29N3O2/c1-18-6-5-7-22(19(18)2)28-15-12-23(27)26(14-13-25(3)4)17-21-10-8-20(16-24)9-11-21/h5-11H,12-15,17H2,1-4H3
InChIKeyXQWNAXPDYYFBGU-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.53
Rot. Bonds9

About N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide

N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide (PubChem CID 55717458) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide
PubChem CID55717458
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C
InChIInChI=1S/C23H29N3O2/c1-18-6-5-7-22(19(18)2)28-15-12-23(27)26(14-13-25(3)4)17-21-10-8-20(16-24)9-11-21/h5-11H,12-15,17H2,1-4H3
InChIKeyXQWNAXPDYYFBGU-UHFFFAOYSA-N
XLogP3.53
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]acetic acid
CID 61022363
3-(2,3-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771469
4-[[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]methyl]benzonitrile
CID 31990851
methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate
CID 60521028
4-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide
CID 55717266
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide
CID 55717328
1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea
CID 78894452
N-[(4-cyanophenyl)methyl]-N,2,3-trimethylbenzamide
CID 39858837
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzonitrile
CID 55149643
4-[2-(2,3-dimethylphenoxy)ethoxy]-3-ethoxybenzonitrile
CID 20986781
1-[2-(2,3-dimethylphenoxy)ethyl]-1-methylhydrazine
CID 82281839
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 55779716

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide (CID 55717458) is N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide is Cc1cccc(OCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide?
The InChIKey is XQWNAXPDYYFBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-6-5-7-22(19(18)2)28-15-12-23(27)26(14-13-25(3)4)17-21-10-8-20(16-24)9-11-21/h5-11H,12-15,17H2,1-4H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide?
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide has a molecular weight of 379.50 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 55717458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).