1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

C19H28N2O3 — CID 111459047

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESCC(NC(=O)NCc1ccccc1OCCO)C1CC2CCC1C2
InChIInChI=1S/C19H28N2O3/c1-13(17-11-14-6-7-15(17)10-14)21-19(23)20-12-16-4-2-3-5-18(16)24-9-8-22/h2-5,13-15,17,22H,6-12H2,1H3,(H2,20,21,23)
InChIKeyRCTLBZXHUPMAFS-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.68
Rot. Bonds7

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (PubChem CID 111459047) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
PubChem CID111459047
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESCC(NC(=O)NCc1ccccc1OCCO)C1CC2CCC1C2
InChIInChI=1S/C19H28N2O3/c1-13(17-11-14-6-7-15(17)10-14)21-19(23)20-12-16-4-2-3-5-18(16)24-9-8-22/h2-5,13-15,17,22H,6-12H2,1H3,(H2,20,21,23)
InChIKeyRCTLBZXHUPMAFS-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
CID 98159873
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
CID 108893091
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chlorophenoxy)acetamide
CID 129376161
1-[1-(3-chlorophenyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457961
N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide
CID 108508984
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
2-[2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]benzamide
CID 98688995
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564
1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457998
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 24698326

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (CID 111459047) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is CC(NC(=O)NCc1ccccc1OCCO)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The InChIKey is RCTLBZXHUPMAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(17-11-14-6-7-15(17)10-14)21-19(23)20-12-16-4-2-3-5-18(16)24-9-8-22/h2-5,13-15,17,22H,6-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea has a molecular weight of 332.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is sourced from PubChem (CID 111459047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).