N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide

C14H22N2O — CID 28707889

IUPACN-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CCN)C(C)C)cc1C
InChIInChI=1S/C14H22N2O/c1-10(2)16(8-7-15)14(17)13-6-5-11(3)12(4)9-13/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyASWZAJYRLHNGTR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.11
Rot. Bonds4

About N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide

N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide (PubChem CID 28707889) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
PubChem CID28707889
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CCN)C(C)C)cc1C
InChIInChI=1S/C14H22N2O/c1-10(2)16(8-7-15)14(17)13-6-5-11(3)12(4)9-13/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyASWZAJYRLHNGTR-UHFFFAOYSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 55241197
N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 107673300
N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79726380
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 106752314
N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 61349904
N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 55151142
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(2-aminoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 61350095
3-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-yl-N-propylbenzamide
CID 81476458

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide (CID 28707889) is N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(CCN)C(C)C)cc1C.
What is the InChIKey of N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide?
The InChIKey is ASWZAJYRLHNGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)16(8-7-15)14(17)13-6-5-11(3)12(4)9-13/h5-6,9-10H,7-8,15H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide?
N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 28707889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).