N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide

C17H26N2O2 — CID 63257730

IUPACN-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCCCC2N)cc1
InChIInChI=1S/C17H26N2O2/c1-21-14-10-7-13(8-11-14)9-12-17(20)19-16-6-4-2-3-5-15(16)18/h7-8,10-11,15-16H,2-6,9,12,18H2,1H3,(H,19,20)
InChIKeyKJOWAGAIIHRHSZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.40
Rot. Bonds5

About N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide

N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 63257730) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
PubChem CID63257730
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCCCC2N)cc1
InChIInChI=1S/C17H26N2O2/c1-21-14-10-7-13(8-11-14)9-12-17(20)19-16-6-4-2-3-5-15(16)18/h7-8,10-11,15-16H,2-6,9,12,18H2,1H3,(H,19,20)
InChIKeyKJOWAGAIIHRHSZ-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-carbamothioylcyclopentyl)-3-(4-methoxyphenyl)propanamide
CID 62956927
N-[(1R,2R)-2-aminocyclohexyl]-3-pyridin-4-ylpropanamide
CID 113265421
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
CID 93451691
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)propanamide
CID 78910672
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 11925847
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
cis-(1R,2S)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxamide
CID 96528414
1-cyclopentyl-3-[3-(4-methoxyphenyl)propanoylamino]thiourea
CID 971187

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide (CID 63257730) is N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2CCCCCC2N)cc1.
What is the InChIKey of N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is KJOWAGAIIHRHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-14-10-7-13(8-11-14)9-12-17(20)19-16-6-4-2-3-5-15(16)18/h7-8,10-11,15-16H,2-6,9,12,18H2,1H3,(H,19,20).
What are the key properties of N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide?
N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 63257730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).