N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride

C16H24Cl2N2O2 — CID 119477645

IUPACN-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)NC2CCC(N)CC2)ccc1Cl.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-10-9-14(7-8-15(10)17)21-11(2)16(20)19-13-5-3-12(18)4-6-13;/h7-9,11-13H,3-6,18H2,1-2H3,(H,19,20);1H
InChIKeyKDDHEUFSOVBOST-UHFFFAOYSA-N
MW347.29 g/mol
LogP3.22
Rot. Bonds4

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

N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride (PubChem CID 119477645) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride
PubChem CID119477645
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC NameN-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)NC2CCC(N)CC2)ccc1Cl.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-10-9-14(7-8-15(10)17)21-11(2)16(20)19-13-5-3-12(18)4-6-13;/h7-9,11-13H,3-6,18H2,1-2H3,(H,19,20);1H
InChIKeyKDDHEUFSOVBOST-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride
CID 119475538
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 7380284
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273672
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
4-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-2-methylbenzenesulfonyl chloride
CID 82916560
2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 106500745
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 103520360
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride (CID 119477645) is N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride is Cc1cc(OC(C)C(=O)NC2CCC(N)CC2)ccc1Cl.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride?
The InChIKey is KDDHEUFSOVBOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-10-9-14(7-8-15(10)17)21-11(2)16(20)19-13-5-3-12(18)4-6-13;/h7-9,11-13H,3-6,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119477645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).