1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea

C23H30N2O4 — CID 78882665

IUPAC1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea
SMILESCOc1ccc(OC)c(C(O)CNC(=O)NCC2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C23H30N2O4/c1-28-18-10-11-21(29-2)19(14-18)20(26)15-24-22(27)25-16-23(12-6-7-13-23)17-8-4-3-5-9-17/h3-5,8-11,14,20,26H,6-7,12-13,15-16H2,1-2H3,(H2,24,25,27)
InChIKeyPMTSAPKJFHNVRG-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.55
Rot. Bonds8

About 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea

1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea (PubChem CID 78882665) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea
PubChem CID78882665
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea
SMILESCOc1ccc(OC)c(C(O)CNC(=O)NCC2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C23H30N2O4/c1-28-18-10-11-21(29-2)19(14-18)20(26)15-24-22(27)25-16-23(12-6-7-13-23)17-8-4-3-5-9-17/h3-5,8-11,14,20,26H,6-7,12-13,15-16H2,1-2H3,(H2,24,25,27)
InChIKeyPMTSAPKJFHNVRG-UHFFFAOYSA-N
XLogP3.55
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 95382656
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 95129792
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55853551
2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;2,3-dihydroxybutanedioic acid
CID 138544619
1-[2-(3-methoxyphenyl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213849
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55654201
2-(5-acetyl-2-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128277
1-(3-chloro-4-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 55696560
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea?
The IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea (CID 78882665) is 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea?
The canonical SMILES for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea is COc1ccc(OC)c(C(O)CNC(=O)NCC2(c3ccccc3)CCCC2)c1.
What is the InChIKey of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea?
The InChIKey is PMTSAPKJFHNVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-28-18-10-11-21(29-2)19(14-18)20(26)15-24-22(27)25-16-23(12-6-7-13-23)17-8-4-3-5-9-17/h3-5,8-11,14,20,26H,6-7,12-13,15-16H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea?
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea has a molecular weight of 398.50 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea is sourced from PubChem (CID 78882665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).