1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea

C18H25N3O4 — CID 71883148

IUPAC1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCC1CCCO1
InChIInChI=1S/C18H25N3O4/c1-24-16-7-6-13(17(22)21-8-2-3-9-21)11-15(16)20-18(23)19-12-14-5-4-10-25-14/h6-7,11,14H,2-5,8-10,12H2,1H3,(H2,19,20,23)
InChIKeyZICRTZWAFFRFSV-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.23
Rot. Bonds5

About 1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea

1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 71883148) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID71883148
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCC1CCCO1
InChIInChI=1S/C18H25N3O4/c1-24-16-7-6-13(17(22)21-8-2-3-9-21)11-15(16)20-18(23)19-12-14-5-4-10-25-14/h6-7,11,14H,2-5,8-10,12H2,1H3,(H2,19,20,23)
InChIKeyZICRTZWAFFRFSV-UHFFFAOYSA-N
XLogP2.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea
CID 91812706
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47196268
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
4-methoxy-3-(oxolan-2-ylmethylamino)benzoic acid
CID 82836476
1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(1,4-dioxan-2-ylmethyl)urea
CID 118765538
methyl 4-chloro-3-(oxolan-2-ylmethylcarbamoylamino)benzoate
CID 110706569
N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126025662
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119755679
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea (CID 71883148) is 1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea is COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCC1CCCO1.
What is the InChIKey of 1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is ZICRTZWAFFRFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-16-7-6-13(17(22)21-8-2-3-9-21)11-15(16)20-18(23)19-12-14-5-4-10-25-14/h6-7,11,14H,2-5,8-10,12H2,1H3,(H2,19,20,23).
What are the key properties of 1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea?
1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 347.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 71883148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).