3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea

C20H32N2O4 — CID 102557257

IUPAC3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCCCO1)C(=O)NCc1ccc(OC)c(OCC)c1
InChIInChI=1S/C20H32N2O4/c1-4-11-22(15-17-8-6-7-12-26-17)20(23)21-14-16-9-10-18(24-3)19(13-16)25-5-2/h9-10,13,17H,4-8,11-12,14-15H2,1-3H3,(H,21,23)
InChIKeyJUMAAVVHXYPHFP-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.58
Rot. Bonds9

About 3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea

3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea (PubChem CID 102557257) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea
PubChem CID102557257
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCCCO1)C(=O)NCc1ccc(OC)c(OCC)c1
InChIInChI=1S/C20H32N2O4/c1-4-11-22(15-17-8-6-7-12-26-17)20(23)21-14-16-9-10-18(24-3)19(13-16)25-5-2/h9-10,13,17H,4-8,11-12,14-15H2,1-3H3,(H,21,23)
InChIKeyJUMAAVVHXYPHFP-UHFFFAOYSA-N
XLogP3.58
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-[(3,4-dimethoxyphenyl)methyl]-1-propylurea
CID 108896769
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate
CID 95769596
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43591760
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3160476
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide
CID 75392355
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea?
The IUPAC name of 3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea (CID 102557257) is 3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea.
What is the SMILES notation for 3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea?
The canonical SMILES for 3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea is CCCN(CC1CCCCO1)C(=O)NCc1ccc(OC)c(OCC)c1.
What is the InChIKey of 3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea?
The InChIKey is JUMAAVVHXYPHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-4-11-22(15-17-8-6-7-12-26-17)20(23)21-14-16-9-10-18(24-3)19(13-16)25-5-2/h9-10,13,17H,4-8,11-12,14-15H2,1-3H3,(H,21,23).
What are the key properties of 3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea?
3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea has a molecular weight of 364.49 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea is sourced from PubChem (CID 102557257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).