N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride

C17H29ClN2O — CID 120886571

IUPACN-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride
SMILESCCC(C)(C)CC(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-17(2,3)14-16(20)19(13-11-18)12-10-15-8-6-5-7-9-15;/h5-9H,4,10-14,18H2,1-3H3;1H
InChIKeyCNSDZOMWPOADKO-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.26
Rot. Bonds8

About N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride

N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride (PubChem CID 120886571) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride
PubChem CID120886571
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC NameN-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride
SMILESCCC(C)(C)CC(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-17(2,3)14-16(20)19(13-11-18)12-10-15-8-6-5-7-9-15;/h5-9H,4,10-14,18H2,1-3H3;1H
InChIKeyCNSDZOMWPOADKO-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886805
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
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)-N-(2-phenylethyl)-2-propylsulfanylacetamide
CID 120886262
N-(2-aminoethyl)-2-(2-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885855
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride (CID 120886571) is N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride is CCC(C)(C)CC(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride?
The InChIKey is CNSDZOMWPOADKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-4-17(2,3)14-16(20)19(13-11-18)12-10-15-8-6-5-7-9-15;/h5-9H,4,10-14,18H2,1-3H3;1H.
What are the key properties of N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride?
N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride is sourced from PubChem (CID 120886571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).