N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide

C17H26N2O3 — CID 119611877

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C17H26N2O3/c1-12(22-15-9-7-14(21-2)8-10-15)17(20)19-16-6-4-3-5-13(16)11-18/h7-10,12-13,16H,3-6,11,18H2,1-2H3,(H,19,20)
InChIKeyDUCUSBRIVWFRQQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.10
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide

N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 119611877) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID119611877
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C17H26N2O3/c1-12(22-15-9-7-14(21-2)8-10-15)17(20)19-16-6-4-3-5-13(16)11-18/h7-10,12-13,16H,3-6,11,18H2,1-2H3,(H,19,20)
InChIKeyDUCUSBRIVWFRQQ-UHFFFAOYSA-N
XLogP2.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride
CID 119612248
N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119601484
N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide
CID 119604613
N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide
CID 119611217
N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119610739
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119611197
N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119612327
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119610659
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide (CID 119611877) is N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NC2CCCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is DUCUSBRIVWFRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(22-15-9-7-14(21-2)8-10-15)17(20)19-16-6-4-3-5-13(16)11-18/h7-10,12-13,16H,3-6,11,18H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide?
N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.10, 6 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-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 119611877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).