N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide

C18H27NO3 — CID 111428672

IUPACN-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2(O)CCCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-22-16-9-6-15(7-10-16)8-11-17(20)19-14-18(21)12-4-2-3-5-13-18/h6-7,9-10,21H,2-5,8,11-14H2,1H3,(H,19,20)
InChIKeyRFWRTYUQEAZVRL-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.83
Rot. Bonds6

About N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide

N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 111428672) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID111428672
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2(O)CCCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-22-16-9-6-15(7-10-16)8-11-17(20)19-14-18(21)12-4-2-3-5-13-18/h6-7,9-10,21H,2-5,8,11-14H2,1H3,(H,19,20)
InChIKeyRFWRTYUQEAZVRL-UHFFFAOYSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 115363823
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 60897688
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 107301592
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
N-[(1-hydroxycyclohexyl)methyl]-3-(5-methylfuran-2-yl)propanamide
CID 111560563
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90535730

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide (CID 111428672) is N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC2(O)CCCCCC2)cc1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is RFWRTYUQEAZVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-22-16-9-6-15(7-10-16)8-11-17(20)19-14-18(21)12-4-2-3-5-13-18/h6-7,9-10,21H,2-5,8,11-14H2,1H3,(H,19,20).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 111428672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).