N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride

C18H29ClN2O3 — CID 119610739

IUPACN-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
SMILESCOc1cccc(COC(C)C(=O)NC2CCCCC2CN)c1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13(23-12-14-6-5-8-16(10-14)22-2)18(21)20-17-9-4-3-7-15(17)11-19;/h5-6,8,10,13,15,17H,3-4,7,9,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyRQCRVNXNRATPFM-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride (PubChem CID 119610739) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
PubChem CID119610739
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
SMILESCOc1cccc(COC(C)C(=O)NC2CCCCC2CN)c1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13(23-12-14-6-5-8-16(10-14)22-2)18(21)20-17-9-4-3-7-15(17)11-19;/h5-6,8,10,13,15,17H,3-4,7,9,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyRQCRVNXNRATPFM-UHFFFAOYSA-N
XLogP2.66
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide
CID 119611877
2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556673
2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide
CID 120556674
N-[2-(hydroxymethyl)cyclohexyl]-2-phenylmethoxypropanamide
CID 103860401
2-[(3-methoxyphenyl)methoxy]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598095
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 94024614
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 56791697
1-(4-aminopiperidin-1-yl)-2-[(3-methoxyphenyl)methoxy]propan-1-one;hydrochloride
CID 119374710
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
2-[(3-methoxyphenyl)methoxy]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462030
N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride
CID 119612248

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride (CID 119610739) is N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride is COc1cccc(COC(C)C(=O)NC2CCCCC2CN)c1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride?
The InChIKey is RQCRVNXNRATPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-13(23-12-14-6-5-8-16(10-14)22-2)18(21)20-17-9-4-3-7-15(17)11-19;/h5-6,8,10,13,15,17H,3-4,7,9,11-12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride is sourced from PubChem (CID 119610739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).