1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea

C20H31N3O2 — CID 17456252

IUPAC1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)NC1CCCCCC1
InChIInChI=1S/C20H31N3O2/c24-20(22-19-5-3-1-2-4-6-19)21-15-17-7-9-18(10-8-17)16-23-11-13-25-14-12-23/h7-10,19H,1-6,11-16H2,(H2,21,22,24)
InChIKeyAZZLHEULSRFLFU-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.04
Rot. Bonds5

About 1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 17456252) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID17456252
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)NC1CCCCCC1
InChIInChI=1S/C20H31N3O2/c24-20(22-19-5-3-1-2-4-6-19)21-15-17-7-9-18(10-8-17)16-23-11-13-25-14-12-23/h7-10,19H,1-6,11-16H2,(H2,21,22,24)
InChIKeyAZZLHEULSRFLFU-UHFFFAOYSA-N
XLogP3.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
CID 71894125
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 119834969
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
(2R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119834947
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
1-cyclohexyl-3-(furan-3-ylmethyl)urea
CID 47236948
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46417626
1-cyclohexyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 94453343

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 17456252) is 1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea is O=C(NCc1ccc(CN2CCOCC2)cc1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is AZZLHEULSRFLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-20(22-19-5-3-1-2-4-6-19)21-15-17-7-9-18(10-8-17)16-23-11-13-25-14-12-23/h7-10,19H,1-6,11-16H2,(H2,21,22,24).
What are the key properties of 1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 345.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 17456252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).