1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea

C25H35ClN2O5 — CID 167096135

IUPAC1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea
SMILESCCOc1cc([C@@H](C)N(CCO[C@@H](C)c2ccccc2)C(N)=O)c(Cl)c(OCC)c1C(C)O
InChIInChI=1S/C25H35ClN2O5/c1-6-31-21-15-20(23(26)24(32-7-2)22(21)17(4)29)16(3)28(25(27)30)13-14-33-18(5)19-11-9-8-10-12-19/h8-12,15-18,29H,6-7,13-14H2,1-5H3,(H2,27,30)/t16-,17?,18+/m1/s1
InChIKeyZXCRXHSZQZSJKA-BLAYRMRBSA-N
MW479.02 g/mol
LogP5.41
Rot. Bonds12

About 1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea

1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea (PubChem CID 167096135) has the molecular formula C25H35ClN2O5 and a molecular weight of 479.02 g/mol. Its IUPAC name is 1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea
PubChem CID167096135
Molecular FormulaC25H35ClN2O5
Molecular Weight479.02 g/mol
Exact Mass478.22
IUPAC Name1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea
SMILESCCOc1cc([C@@H](C)N(CCO[C@@H](C)c2ccccc2)C(N)=O)c(Cl)c(OCC)c1C(C)O
InChIInChI=1S/C25H35ClN2O5/c1-6-31-21-15-20(23(26)24(32-7-2)22(21)17(4)29)16(3)28(25(27)30)13-14-33-18(5)19-11-9-8-10-12-19/h8-12,15-18,29H,6-7,13-14H2,1-5H3,(H2,27,30)/t16-,17?,18+/m1/s1
InChIKeyZXCRXHSZQZSJKA-BLAYRMRBSA-N
XLogP5.41
TPSA94.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.02
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(4-acetyl-2-chloro-3,5-diethoxyphenyl)ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea
CID 167096148
methyl 1-[[1-(4-acetyl-2-chloro-3,5-diethoxyphenyl)ethyl-[2-[(1S)-1-phenylethoxy]ethyl]carbamoyl]amino]-3,3-difluorocyclobutane-1-carboxylate
CID 176799373
methyl 1-[[[(1R)-1-(4-acetyl-2-chloro-3,5-diethoxyphenyl)ethyl]-[2-[(1S)-1-phenylethoxy]ethyl]carbamoyl]amino]-3-ethoxycyclobutane-1-carboxylate
CID 167096147
1-[(1R)-1-(4-acetyl-2-chloro-3,5-diethoxyphenyl)ethyl]-3-[3-ethoxy-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]cyclobutyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea
CID 163445847
1-[[[(1R)-1-(4-acetyl-2-chloro-3,5-dimethoxyphenyl)ethyl]-[2-[(1S)-1-phenylethoxy]ethyl]carbamoyl]amino]-3-ethoxycyclobutane-1-carboxylic acid
CID 167096128
1-[[[(1R)-1-(4-acetyl-3-ethoxy-2-methylphenyl)ethyl]-[2-[(1R)-1-phenylethoxy]ethyl]carbamoyl]amino]cyclopropane-1-carboxylic acid
CID 176799266
1-[[[(1R)-1-(4-acetyl-3,5-diethoxyphenyl)ethyl]-[2-[(1S)-1-phenylethoxy]ethyl]carbamoyl]amino]-3-ethoxycyclobutane-1-carboxylic acid
CID 155595697
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326
3-(3-chloro-4,5-diethoxyphenyl)-2-phenylpropanoic acid
CID 20986038
1-[[[(1R)-1-(4-cyclopropyl-3-ethenoxy-5-ethoxyphenyl)ethyl]-[2-[(1S)-1-phenylethoxy]ethyl]carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 167096015
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
1-[[1-[3,5-diethoxy-2-ethyl-4-(1-hydroxyethyl)phenyl]ethyl-(4-phenylbutyl)carbamoyl]amino]-3,3-difluorocyclobutane-1-carboxylic acid
CID 167096069

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea?
The IUPAC name of 1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea (CID 167096135) is 1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea.
What is the SMILES notation for 1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea?
The canonical SMILES for 1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea is CCOc1cc([C@@H](C)N(CCO[C@@H](C)c2ccccc2)C(N)=O)c(Cl)c(OCC)c1C(C)O.
What is the InChIKey of 1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea?
The InChIKey is ZXCRXHSZQZSJKA-BLAYRMRBSA-N. The full InChI is InChI=1S/C25H35ClN2O5/c1-6-31-21-15-20(23(26)24(32-7-2)22(21)17(4)29)16(3)28(25(27)30)13-14-33-18(5)19-11-9-8-10-12-19/h8-12,15-18,29H,6-7,13-14H2,1-5H3,(H2,27,30)/t16-,17?,18+/m1/s1.
What are the key properties of 1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea?
1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea has a molecular weight of 479.02 g/mol, XLogP of 5.41, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-chloro-3,5-diethoxy-4-(1-hydroxyethyl)phenyl]ethyl]-1-[2-[(1S)-1-phenylethoxy]ethyl]urea is sourced from PubChem (CID 167096135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).