N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide

C14H23N3O — CID 55151142

IUPACN-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCN)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H23N3O/c1-11(2)17(9-8-15)14(18)12-6-5-7-13(10-12)16(3)4/h5-7,10-11H,8-9,15H2,1-4H3
InChIKeyAIHQFBYKWCOGOH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.56
Rot. Bonds5

About N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide

N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide (PubChem CID 55151142) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
PubChem CID55151142
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCN)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H23N3O/c1-11(2)17(9-8-15)14(18)12-6-5-7-13(10-12)16(3)4/h5-7,10-11H,8-9,15H2,1-4H3
InChIKeyAIHQFBYKWCOGOH-UHFFFAOYSA-N
XLogP1.56
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 63394157
ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate
CID 61022059
N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
CID 28707889
N-(2-bromoethyl)-3-(dimethylamino)-N-pentan-3-ylbenzamide
CID 80670587
N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
CID 43275421
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 106752314
N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
CID 66090676
2-amino-1-[3-(dimethylamino)phenyl]propan-1-one
CID 57002275
N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79726380
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 61349904
N-(2-aminoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 61350095

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide (CID 55151142) is N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide is CC(C)N(CCN)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide?
The InChIKey is AIHQFBYKWCOGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)17(9-8-15)14(18)12-6-5-7-13(10-12)16(3)4/h5-7,10-11H,8-9,15H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide?
N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide has a molecular weight of 249.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 55151142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).