N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide

C14H23N3O — CID 109016239

IUPACN-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
SMILESCN(C)CCNC(=O)CCN(C)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-16(2)12-10-15-14(18)9-11-17(3)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,15,18)
InChIKeyPNLXUVIFJJKGAT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.19
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide

N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide (PubChem CID 109016239) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
PubChem CID109016239
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
SMILESCN(C)CCNC(=O)CCN(C)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-16(2)12-10-15-14(18)9-11-17(3)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,15,18)
InChIKeyPNLXUVIFJJKGAT-UHFFFAOYSA-N
XLogP1.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(N-methylanilino)acetamide
CID 108994641
3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61260104
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide
CID 3296654
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
5-amino-4-methyl-N-[2-(N-methylanilino)ethyl]pentanamide
CID 82012269
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926
3-(cyclopropylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61259203
3-(2-bromophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 55822824
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 120612175
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
CID 120612174

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide (CID 109016239) is N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide is CN(C)CCNC(=O)CCN(C)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide?
The InChIKey is PNLXUVIFJJKGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)12-10-15-14(18)9-11-17(3)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide?
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide is sourced from PubChem (CID 109016239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).