N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide

C17H28N2O — CID 120886564

IUPACN-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
SMILESCC(C)(C)CCC(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)11-9-16(20)19(14-12-18)13-10-15-7-5-4-6-8-15/h4-8H,9-14,18H2,1-3H3
InChIKeyBESNTRUNTVKFAJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds7

About N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide

N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide (PubChem CID 120886564) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
PubChem CID120886564
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
SMILESCC(C)(C)CCC(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)11-9-16(20)19(14-12-18)13-10-15-7-5-4-6-8-15/h4-8H,9-14,18H2,1-3H3
InChIKeyBESNTRUNTVKFAJ-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500
N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120886571
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886805
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide?
The IUPAC name of N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide (CID 120886564) is N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide.
What is the SMILES notation for N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide?
The canonical SMILES for N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide is CC(C)(C)CCC(=O)N(CCN)CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide?
The InChIKey is BESNTRUNTVKFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)11-9-16(20)19(14-12-18)13-10-15-7-5-4-6-8-15/h4-8H,9-14,18H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide?
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide has a molecular weight of 276.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide is sourced from PubChem (CID 120886564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).