N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride

C20H32ClN3O2 — CID 120886231

IUPACN-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C20H31N3O2.ClH/c21-12-14-23(13-11-17-7-3-1-4-8-17)20(25)16-22-19(24)15-18-9-5-2-6-10-18;/h1,3-4,7-8,18H,2,5-6,9-16,21H2,(H,22,24);1H
InChIKeyQYONBBGMFQNYAO-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.52
Rot. Bonds9

About N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride

N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride (PubChem CID 120886231) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
PubChem CID120886231
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C20H31N3O2.ClH/c21-12-14-23(13-11-17-7-3-1-4-8-17)20(25)16-22-19(24)15-18-9-5-2-6-10-18;/h1,3-4,7-8,18H,2,5-6,9-16,21H2,(H,22,24);1H
InChIKeyQYONBBGMFQNYAO-UHFFFAOYSA-N
XLogP2.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 120886842
2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid
CID 119196837
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120886353
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 120886692
N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734
N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885063
N-(2-aminoethyl)-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
CID 120885504
N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide
CID 120886452
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The IUPAC name of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride (CID 120886231) is N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The canonical SMILES for N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)CNC(=O)CC1CCCCC1.
What is the InChIKey of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The InChIKey is QYONBBGMFQNYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c21-12-14-23(13-11-17-7-3-1-4-8-17)20(25)16-22-19(24)15-18-9-5-2-6-10-18;/h1,3-4,7-8,18H,2,5-6,9-16,21H2,(H,22,24);1H.
What are the key properties of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 120886231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).