1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea

C20H28N4O2 — CID 122568154

IUPAC1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCCN(Cc1cnn(CC)c1)C(=O)NC1CCCc2cc(OC)ccc21
InChIInChI=1S/C20H28N4O2/c1-4-23(13-15-12-21-24(5-2)14-15)20(25)22-19-8-6-7-16-11-17(26-3)9-10-18(16)19/h9-12,14,19H,4-8,13H2,1-3H3,(H,22,25)
InChIKeyKPDNXKJBVUJDMI-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.52
Rot. Bonds6

About 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 122568154) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID122568154
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCCN(Cc1cnn(CC)c1)C(=O)NC1CCCc2cc(OC)ccc21
InChIInChI=1S/C20H28N4O2/c1-4-23(13-15-12-21-24(5-2)14-15)20(25)22-19-8-6-7-16-11-17(26-3)9-10-18(16)19/h9-12,14,19H,4-8,13H2,1-3H3,(H,22,25)
InChIKeyKPDNXKJBVUJDMI-UHFFFAOYSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 115712646
1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea
CID 126423557
(3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97146785
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
5-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683372
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
1-ethyl-1-[(3-fluorophenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 52658204
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95346227
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 121496520
N-ethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 43574212

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 122568154) is 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea is CCN(Cc1cnn(CC)c1)C(=O)NC1CCCc2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is KPDNXKJBVUJDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-23(13-15-12-21-24(5-2)14-15)20(25)22-19-8-6-7-16-11-17(26-3)9-10-18(16)19/h9-12,14,19H,4-8,13H2,1-3H3,(H,22,25).
What are the key properties of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 356.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 122568154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).