N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide

C19H27NO3 — CID 109399825

IUPACN-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1cc(C2(C(=O)N(C)CC3CCCC3O)CC2)ccc1C
InChIInChI=1S/C19H27NO3/c1-13-7-8-15(11-17(13)23-3)19(9-10-19)18(22)20(2)12-14-5-4-6-16(14)21/h7-8,11,14,16,21H,4-6,9-10,12H2,1-3H3
InChIKeyNWGMENLKGSTHAP-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.65
Rot. Bonds5

About N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 109399825) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID109399825
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1cc(C2(C(=O)N(C)CC3CCCC3O)CC2)ccc1C
InChIInChI=1S/C19H27NO3/c1-13-7-8-15(11-17(13)23-3)19(9-10-19)18(22)20(2)12-14-5-4-6-16(14)21/h7-8,11,14,16,21H,4-6,9-10,12H2,1-3H3
InChIKeyNWGMENLKGSTHAP-UHFFFAOYSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide (CID 109399825) is N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide is COc1cc(C2(C(=O)N(C)CC3CCCC3O)CC2)ccc1C.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is NWGMENLKGSTHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-13-7-8-15(11-17(13)23-3)19(9-10-19)18(22)20(2)12-14-5-4-6-16(14)21/h7-8,11,14,16,21H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 109399825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).