1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea

C17H30N2O3 — CID 110911338

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
SMILESCC(NC(=O)NCC(O)COCC1CC1)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O3/c1-11(16-7-13-4-5-14(16)6-13)19-17(21)18-8-15(20)10-22-9-12-2-3-12/h11-16,20H,2-10H2,1H3,(H2,18,19,21)
InChIKeyQQLMSJJWHTULOE-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.90
Rot. Bonds8

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea (PubChem CID 110911338) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
PubChem CID110911338
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
SMILESCC(NC(=O)NCC(O)COCC1CC1)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O3/c1-11(16-7-13-4-5-14(16)6-13)19-17(21)18-8-15(20)10-22-9-12-2-3-12/h11-16,20H,2-10H2,1H3,(H2,18,19,21)
InChIKeyQQLMSJJWHTULOE-UHFFFAOYSA-N
XLogP1.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea with MolForge

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 60635528
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide
CID 71924916
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]propanoic acid
CID 16784459
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54924868
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 110911350
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504925
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 110911377
(2S,3R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 104965754
1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 97080512
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
CID 108893091
ethyl N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98277095

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea (CID 110911338) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea is CC(NC(=O)NCC(O)COCC1CC1)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The InChIKey is QQLMSJJWHTULOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-11(16-7-13-4-5-14(16)6-13)19-17(21)18-8-15(20)10-22-9-12-2-3-12/h11-16,20H,2-10H2,1H3,(H2,18,19,21).
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea has a molecular weight of 310.44 g/mol, XLogP of 1.90, 8 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-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea is sourced from PubChem (CID 110911338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).