N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride

C21H27ClN2O2 — CID 119477516

IUPACN-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCOc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2.ClH/c22-17-10-12-18(13-11-17)23-21(24)14-15-25-20-9-5-4-8-19(20)16-6-2-1-3-7-16;/h1-9,17-18H,10-15,22H2,(H,23,24);1H
InChIKeyIRKAFHKSPMVRDM-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.93
Rot. Bonds6

About N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride

N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride (PubChem CID 119477516) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride
PubChem CID119477516
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCOc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2.ClH/c22-17-10-12-18(13-11-17)23-21(24)14-15-25-20-9-5-4-8-19(20)16-6-2-1-3-7-16;/h1-9,17-18H,10-15,22H2,(H,23,24);1H
InChIKeyIRKAFHKSPMVRDM-UHFFFAOYSA-N
XLogP3.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119478904
2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid
CID 80740402
N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride
CID 119475599
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 119477041
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
CID 119476133
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
CID 119570911
3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119385928
2-(cyclopropylmethylamino)-N-[2-(2-phenylphenoxy)ethyl]acetamide;hydrochloride
CID 119754368
N-(2-amino-2-oxo-1-phenylethyl)-3-(2-phenylphenoxy)propanamide
CID 55623305
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride (CID 119477516) is N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride is Cl.NC1CCC(NC(=O)CCOc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride?
The InChIKey is IRKAFHKSPMVRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c22-17-10-12-18(13-11-17)23-21(24)14-15-25-20-9-5-4-8-19(20)16-6-2-1-3-7-16;/h1-9,17-18H,10-15,22H2,(H,23,24);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119477516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).