1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea

C23H33N3O4 — CID 42700974

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccc(NC(=O)N(CCN2CCOCC2)CC2CC3C=CC2C3)c(OC)c1
InChIInChI=1S/C23H33N3O4/c1-28-20-5-6-21(22(15-20)29-2)24-23(27)26(8-7-25-9-11-30-12-10-25)16-19-14-17-3-4-18(19)13-17/h3-6,15,17-19H,7-14,16H2,1-2H3,(H,24,27)
InChIKeyYHQDOENOZJYYNC-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.08
Rot. Bonds8

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 42700974) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID42700974
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccc(NC(=O)N(CCN2CCOCC2)CC2CC3C=CC2C3)c(OC)c1
InChIInChI=1S/C23H33N3O4/c1-28-20-5-6-21(22(15-20)29-2)24-23(27)26(8-7-25-9-11-30-12-10-25)16-19-14-17-3-4-18(19)13-17/h3-6,15,17-19H,7-14,16H2,1-2H3,(H,24,27)
InChIKeyYHQDOENOZJYYNC-UHFFFAOYSA-N
XLogP3.08
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 42709163
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dimethoxyaniline
CID 43758056
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 11921796
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42706419
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
1-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 98404497
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42695927
2,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzamide
CID 90607312
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42723901
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-(2-methyl-4-morpholin-4-ylphenyl)-1-propan-2-ylurea
CID 98259935
2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 20737947

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea (CID 42700974) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea is COc1ccc(NC(=O)N(CCN2CCOCC2)CC2CC3C=CC2C3)c(OC)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is YHQDOENOZJYYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-28-20-5-6-21(22(15-20)29-2)24-23(27)26(8-7-25-9-11-30-12-10-25)16-19-14-17-3-4-18(19)13-17/h3-6,15,17-19H,7-14,16H2,1-2H3,(H,24,27).
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 415.53 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 42700974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).