N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride

C16H24ClN3O2 — CID 119474993

IUPACN-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2.ClH/c17-13-6-8-14(9-7-13)19-16(21)11-18-15(20)10-12-4-2-1-3-5-12;/h1-5,13-14H,6-11,17H2,(H,18,20)(H,19,21);1H
InChIKeyVHKKECCHTLLSJC-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.15
Rot. Bonds5

About N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride

N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride (PubChem CID 119474993) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
PubChem CID119474993
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2.ClH/c17-13-6-8-14(9-7-13)19-16(21)11-18-15(20)10-12-4-2-1-3-5-12;/h1-5,13-14H,6-11,17H2,(H,18,20)(H,19,21);1H
InChIKeyVHKKECCHTLLSJC-UHFFFAOYSA-N
XLogP1.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119477453
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
CID 119476259
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride
CID 119475599
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 55030074
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693
N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide
CID 119475463
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride (CID 119474993) is N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride is Cl.NC1CCC(NC(=O)CNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is VHKKECCHTLLSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-13-6-8-14(9-7-13)19-16(21)11-18-15(20)10-12-4-2-1-3-5-12;/h1-5,13-14H,6-11,17H2,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119474993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).