1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea

C21H35N3O3 — CID 128664305

IUPAC1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
SMILESO=C(NCC1(N2CCOCC2)CCOCC1)NC1CC2CC1C1CCCC21
InChIInChI=1S/C21H35N3O3/c25-20(23-19-13-15-12-18(19)17-3-1-2-16(15)17)22-14-21(4-8-26-9-5-21)24-6-10-27-11-7-24/h15-19H,1-14H2,(H2,22,23,25)
InChIKeyNRZOHAPYRUXQBG-UHFFFAOYSA-N
MW377.53 g/mol
LogP1.99
Rot. Bonds4

About 1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea

1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea (PubChem CID 128664305) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea.

Molecular Properties

Compound Name1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
PubChem CID128664305
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
SMILESO=C(NCC1(N2CCOCC2)CCOCC1)NC1CC2CC1C1CCCC21
InChIInChI=1S/C21H35N3O3/c25-20(23-19-13-15-12-18(19)17-3-1-2-16(15)17)22-14-21(4-8-26-9-5-21)24-6-10-27-11-7-24/h15-19H,1-14H2,(H2,22,23,25)
InChIKeyNRZOHAPYRUXQBG-UHFFFAOYSA-N
XLogP1.99
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea with MolForge

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Related Compounds

1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 38156413
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124741256
1-(2-phenylethyl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739144
1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739142
1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124829821
1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
CID 110892558
3-ethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrrolidine-3-carboxamide
CID 63139525
1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124864947
1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742048
N-[(4-piperidin-1-yloxan-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119886702
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119268174
N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentanecarboxamide
CID 124785473

Frequently Asked Questions

What is the IUPAC name of 1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The IUPAC name of 1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea (CID 128664305) is 1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea.
What is the SMILES notation for 1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The canonical SMILES for 1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea is O=C(NCC1(N2CCOCC2)CCOCC1)NC1CC2CC1C1CCCC21.
What is the InChIKey of 1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The InChIKey is NRZOHAPYRUXQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c25-20(23-19-13-15-12-18(19)17-3-1-2-16(15)17)22-14-21(4-8-26-9-5-21)24-6-10-27-11-7-24/h15-19H,1-14H2,(H2,22,23,25).
What are the key properties of 1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea has a molecular weight of 377.53 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea is sourced from PubChem (CID 128664305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).