1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

C18H24N2O4 — CID 110901224

IUPAC1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCOc1ccccc1CN(CCO)C(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C18H24N2O4/c1-13-8-9-16(24-13)14(2)19-18(22)20(10-11-21)12-15-6-4-5-7-17(15)23-3/h4-9,14,21H,10-12H2,1-3H3,(H,19,22)
InChIKeyLPWOTLRKCZKAPC-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.86
Rot. Bonds7

About 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 110901224) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID110901224
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCOc1ccccc1CN(CCO)C(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C18H24N2O4/c1-13-8-9-16(24-13)14(2)19-18(22)20(10-11-21)12-15-6-4-5-7-17(15)23-3/h4-9,14,21H,10-12H2,1-3H3,(H,19,22)
InChIKeyLPWOTLRKCZKAPC-UHFFFAOYSA-N
XLogP2.86
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
CID 110901111
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 110907502
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
2-(2-methoxyphenoxy)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 31001904
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60952867
2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78960889
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111450746
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 60952866
2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 55819269
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (CID 110901224) is 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is COc1ccccc1CN(CCO)C(=O)NC(C)c1ccc(C)o1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is LPWOTLRKCZKAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-8-9-16(24-13)14(2)19-18(22)20(10-11-21)12-15-6-4-5-7-17(15)23-3/h4-9,14,21H,10-12H2,1-3H3,(H,19,22).
What are the key properties of 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 332.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 110901224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).