1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea

C17H27N3O3 — CID 90607143

IUPAC1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea
SMILESCOc1cccc(NC(=O)N(CCN(C)C)C2CCOCC2)c1
InChIInChI=1S/C17H27N3O3/c1-19(2)9-10-20(15-7-11-23-12-8-15)17(21)18-14-5-4-6-16(13-14)22-3/h4-6,13,15H,7-12H2,1-3H3,(H,18,21)
InChIKeyLRUDILBTIWEAAK-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea

1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea (PubChem CID 90607143) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea
PubChem CID90607143
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea
SMILESCOc1cccc(NC(=O)N(CCN(C)C)C2CCOCC2)c1
InChIInChI=1S/C17H27N3O3/c1-19(2)9-10-20(15-7-11-23-12-8-15)17(21)18-14-5-4-6-16(13-14)22-3/h4-6,13,15H,7-12H2,1-3H3,(H,18,21)
InChIKeyLRUDILBTIWEAAK-UHFFFAOYSA-N
XLogP2.27
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564
1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
CID 102874255
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea
CID 66213856
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706
1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea
CID 61310944
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 66187335
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
CID 99635550
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783733
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345726
2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid
CID 43656055

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea (CID 90607143) is 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea is COc1cccc(NC(=O)N(CCN(C)C)C2CCOCC2)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea?
The InChIKey is LRUDILBTIWEAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-19(2)9-10-20(15-7-11-23-12-8-15)17(21)18-14-5-4-6-16(13-14)22-3/h4-6,13,15H,7-12H2,1-3H3,(H,18,21).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea?
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea has a molecular weight of 321.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea is sourced from PubChem (CID 90607143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).