4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide

C18H26N2O4 — CID 119797799

IUPAC4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC(O)CN2)cc1OCC1CCOCC1
InChIInChI=1S/C18H26N2O4/c1-12-2-3-14(20-18(22)16-9-15(21)10-19-16)8-17(12)24-11-13-4-6-23-7-5-13/h2-3,8,13,15-16,19,21H,4-7,9-11H2,1H3,(H,20,22)
InChIKeyRBKIDKAQIUBHQS-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.46
Rot. Bonds5

About 4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119797799) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID119797799
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC(O)CN2)cc1OCC1CCOCC1
InChIInChI=1S/C18H26N2O4/c1-12-2-3-14(20-18(22)16-9-15(21)10-19-16)8-17(12)24-11-13-4-6-23-7-5-13/h2-3,8,13,15-16,19,21H,4-7,9-11H2,1H3,(H,20,22)
InChIKeyRBKIDKAQIUBHQS-UHFFFAOYSA-N
XLogP1.46
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976327
4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide
CID 119798718
N-[3-(cyclohexylmethoxy)-4-methylphenyl]morpholine-3-carboxamide
CID 119797837
2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119797808
3,3-dimethyl-5-[4-methyl-3-(oxan-4-ylmethoxy)anilino]-5-oxopentanoic acid
CID 119137975
N-(3-chloro-4-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54862536
N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939630
1-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085465
methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate
CID 119775407
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119811430
6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 166213173
1-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 126791849

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide (CID 119797799) is 4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)C2CC(O)CN2)cc1OCC1CCOCC1.
What is the InChIKey of 4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is RBKIDKAQIUBHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12-2-3-14(20-18(22)16-9-15(21)10-19-16)8-17(12)24-11-13-4-6-23-7-5-13/h2-3,8,13,15-16,19,21H,4-7,9-11H2,1H3,(H,20,22).
What are the key properties of 4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119797799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).