N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride

C19H31ClN2O2 — CID 119475538

IUPACN-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-13(18(22)21-16-9-7-15(20)8-10-16)23-17-11-5-14(6-12-17)19(2,3)4;/h5-6,11-13,15-16H,7-10,20H2,1-4H3,(H,21,22);1H
InChIKeyFJFWQRRWSIUXJO-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.56
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride

N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride (PubChem CID 119475538) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride
PubChem CID119475538
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC NameN-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-13(18(22)21-16-9-7-15(20)8-10-16)23-17-11-5-14(6-12-17)19(2,3)4;/h5-6,11-13,15-16H,7-10,20H2,1-4H3,(H,21,22);1H
InChIKeyFJFWQRRWSIUXJO-UHFFFAOYSA-N
XLogP3.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;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-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride
CID 119477645
ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 51177018
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7703486
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
CID 7931426
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
CID 78760023
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride (CID 119475538) is N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride?
The InChIKey is FJFWQRRWSIUXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-13(18(22)21-16-9-7-15(20)8-10-16)23-17-11-5-14(6-12-17)19(2,3)4;/h5-6,11-13,15-16H,7-10,20H2,1-4H3,(H,21,22);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.56, 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-tert-butylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119475538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).