N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide

C19H28N2O4 — CID 91644359

IUPACN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)C3(O)CCCCC3)C2)c1
InChIInChI=1S/C19H28N2O4/c1-24-16-10-15(11-17(12-16)25-2)21-9-6-14(13-21)20-18(22)19(23)7-4-3-5-8-19/h10-12,14,23H,3-9,13H2,1-2H3,(H,20,22)
InChIKeyPWIGHVDNAQIHEB-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.09
Rot. Bonds5

About N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide (PubChem CID 91644359) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide
PubChem CID91644359
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)C3(O)CCCCC3)C2)c1
InChIInChI=1S/C19H28N2O4/c1-24-16-10-15(11-17(12-16)25-2)21-9-6-14(13-21)20-18(22)19(23)7-4-3-5-8-19/h10-12,14,23H,3-9,13H2,1-2H3,(H,20,22)
InChIKeyPWIGHVDNAQIHEB-UHFFFAOYSA-N
XLogP2.09
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119899376
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922757
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120942736
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119899338
1-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119898769
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 71863545
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119899384
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119899355
4-amino-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120597456
N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 139018722
(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]oxolane-2-carboxamide
CID 120801472

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide (CID 91644359) is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide is COc1cc(OC)cc(N2CCC(NC(=O)C3(O)CCCCC3)C2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide?
The InChIKey is PWIGHVDNAQIHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-24-16-10-15(11-17(12-16)25-2)21-9-6-14(13-21)20-18(22)19(23)7-4-3-5-8-19/h10-12,14,23H,3-9,13H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide?
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 91644359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).