N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide

C18H31N3O — CID 120886396

IUPACN-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide
SMILESCCC(C(=O)N(CCN)CCc1ccccc1)N(CC)CC
InChIInChI=1S/C18H31N3O/c1-4-17(20(5-2)6-3)18(22)21(15-13-19)14-12-16-10-8-7-9-11-16/h7-11,17H,4-6,12-15,19H2,1-3H3
InChIKeyFBFKTURILZYOFB-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.14
Rot. Bonds10

About N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide

N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide (PubChem CID 120886396) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide
PubChem CID120886396
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide
SMILESCCC(C(=O)N(CCN)CCc1ccccc1)N(CC)CC
InChIInChI=1S/C18H31N3O/c1-4-17(20(5-2)6-3)18(22)21(15-13-19)14-12-16-10-8-7-9-11-16/h7-11,17H,4-6,12-15,19H2,1-3H3
InChIKeyFBFKTURILZYOFB-UHFFFAOYSA-N
XLogP2.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120885093
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide
CID 120886222
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide
CID 120886262
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885187
N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886149

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide?
The IUPAC name of N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide (CID 120886396) is N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide?
The canonical SMILES for N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide is CCC(C(=O)N(CCN)CCc1ccccc1)N(CC)CC.
What is the InChIKey of N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide?
The InChIKey is FBFKTURILZYOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-4-17(20(5-2)6-3)18(22)21(15-13-19)14-12-16-10-8-7-9-11-16/h7-11,17H,4-6,12-15,19H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide?
N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide has a molecular weight of 305.47 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 120886396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).