N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide

C17H26N2O3 — CID 119478687

IUPACN-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCC(N)CC2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-21-15-9-3-12(11-16(15)22-2)4-10-17(20)19-14-7-5-13(18)6-8-14/h3,9,11,13-14H,4-8,10,18H2,1-2H3,(H,19,20)
InChIKeyJXMRVZDWJPIXRY-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.02
Rot. Bonds6

About N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide

N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 119478687) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID119478687
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCC(N)CC2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-21-15-9-3-12(11-16(15)22-2)4-10-17(20)19-14-7-5-13(18)6-8-14/h3,9,11,13-14H,4-8,10,18H2,1-2H3,(H,19,20)
InChIKeyJXMRVZDWJPIXRY-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid
CID 173335961
N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556445
4-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066112
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide (CID 119478687) is N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2CCC(N)CC2)cc1OC.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is JXMRVZDWJPIXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-15-9-3-12(11-16(15)22-2)4-10-17(20)19-14-7-5-13(18)6-8-14/h3,9,11,13-14H,4-8,10,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 119478687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).