2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide

C18H30N2O — CID 79490268

IUPAC2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccccc1CCN
InChIInChI=1S/C18H30N2O/c1-5-16(6-2)20(13-14(3)4)18(21)17-10-8-7-9-15(17)11-12-19/h7-10,14,16H,5-6,11-13,19H2,1-4H3
InChIKeyAKZLSYRXMSUGHQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.47
Rot. Bonds8

About 2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide

2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide (PubChem CID 79490268) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
PubChem CID79490268
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccccc1CCN
InChIInChI=1S/C18H30N2O/c1-5-16(6-2)20(13-14(3)4)18(21)17-10-8-7-9-15(17)11-12-19/h7-10,14,16H,5-6,11-13,19H2,1-4H3
InChIKeyAKZLSYRXMSUGHQ-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79484068
2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79501523
1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one
CID 116577339
2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487895
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide
CID 79489331
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 62242767
2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 83109235
2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 79490710
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
CID 79797957
1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide (CID 79490268) is 2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide is CCC(CC)N(CC(C)C)C(=O)c1ccccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The InChIKey is AKZLSYRXMSUGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-16(6-2)20(13-14(3)4)18(21)17-10-8-7-9-15(17)11-12-19/h7-10,14,16H,5-6,11-13,19H2,1-4H3.
What are the key properties of 2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide has a molecular weight of 290.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 79490268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).