1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea

C20H29N3O4 — CID 51122736

IUPAC1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
SMILESO=C(NCCC(=O)N1CCOCC1)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C20H29N3O4/c24-19(23-11-13-26-14-12-23)9-10-21-20(25)22-15-16-5-1-4-8-18(16)27-17-6-2-3-7-17/h1,4-5,8,17H,2-3,6-7,9-15H2,(H2,21,22,25)
InChIKeyUGIXXHGUMLTCKK-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.06
Rot. Bonds7

About 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea

1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea (PubChem CID 51122736) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
PubChem CID51122736
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
SMILESO=C(NCCC(=O)N1CCOCC1)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C20H29N3O4/c24-19(23-11-13-26-14-12-23)9-10-21-20(25)22-15-16-5-1-4-8-18(16)27-17-6-2-3-7-17/h1,4-5,8,17H,2-3,6-7,9-15H2,(H2,21,22,25)
InChIKeyUGIXXHGUMLTCKK-UHFFFAOYSA-N
XLogP2.06
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 111428441
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 52810254
1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
CID 126787197
1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea
CID 136561160
N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 39433302
1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea
CID 71917097
N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 52710137
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
1-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111375203
4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120934185
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 56797916

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea?
The IUPAC name of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea (CID 51122736) is 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea.
What is the SMILES notation for 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea?
The canonical SMILES for 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea is O=C(NCCC(=O)N1CCOCC1)NCc1ccccc1OC1CCCC1.
What is the InChIKey of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea?
The InChIKey is UGIXXHGUMLTCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c24-19(23-11-13-26-14-12-23)9-10-21-20(25)22-15-16-5-1-4-8-18(16)27-17-6-2-3-7-17/h1,4-5,8,17H,2-3,6-7,9-15H2,(H2,21,22,25).
What are the key properties of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea?
1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea has a molecular weight of 375.47 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea is sourced from PubChem (CID 51122736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).