N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride

C18H30ClN3O2 — CID 120885093

IUPACN-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(C)C)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-14(20-17(23)18(2,3)4)16(22)21(13-11-19)12-10-15-8-6-5-7-9-15;/h5-9,14H,10-13,19H2,1-4H3,(H,20,23);1H
InChIKeySQNOCPIBDDIZJB-UHFFFAOYSA-N
MW355.91 g/mol
LogP1.99
Rot. Bonds7

About N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride

N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 120885093) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID120885093
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC NameN-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(C)C)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-14(20-17(23)18(2,3)4)16(22)21(13-11-19)12-10-15-8-6-5-7-9-15;/h5-9,14H,10-13,19H2,1-4H3,(H,20,23);1H
InChIKeySQNOCPIBDDIZJB-UHFFFAOYSA-N
XLogP1.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;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)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886149
N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886147
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
CID 120886821
N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885187
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide
CID 120649030
N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide
CID 120886396
N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120886571
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride (CID 120885093) is N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride is CC(NC(=O)C(C)(C)C)C(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is SQNOCPIBDDIZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-14(20-17(23)18(2,3)4)16(22)21(13-11-19)12-10-15-8-6-5-7-9-15;/h5-9,14H,10-13,19H2,1-4H3,(H,20,23);1H.
What are the key properties of N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 120885093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).