N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide

C14H20N2O3 — CID 103537365

IUPACN-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2ccc(C(C)O)cc2)C1
InChIInChI=1S/C14H20N2O3/c1-10(17)11-3-5-12(6-4-11)15-14(18)16-8-7-13(9-16)19-2/h3-6,10,13,17H,7-9H2,1-2H3,(H,15,18)
InChIKeyXMNCBMIFWWNFMG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.99
Rot. Bonds3

About N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide

N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide (PubChem CID 103537365) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
PubChem CID103537365
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2ccc(C(C)O)cc2)C1
InChIInChI=1S/C14H20N2O3/c1-10(17)11-3-5-12(6-4-11)15-14(18)16-8-7-13(9-16)19-2/h3-6,10,13,17H,7-9H2,1-2H3,(H,15,18)
InChIKeyXMNCBMIFWWNFMG-UHFFFAOYSA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599250
N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide
CID 63627417
4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 61341797
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114681075
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide
CID 48643522
N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide
CID 108754190
3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 102964223

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide (CID 103537365) is N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide is COC1CCN(C(=O)Nc2ccc(C(C)O)cc2)C1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide?
The InChIKey is XMNCBMIFWWNFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(17)11-3-5-12(6-4-11)15-14(18)16-8-7-13(9-16)19-2/h3-6,10,13,17H,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide?
N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 103537365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).