1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea

C27H34N4O2 — CID 143056501

IUPAC1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea
SMILESCCC[C@H](CCCc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C27H34N4O2/c1-4-10-20(21-11-7-6-8-12-21)13-9-14-23-18-28-19-25(30-23)22-15-16-24(26(17-22)33-3)31-27(32)29-5-2/h6-8,11-12,15-20H,4-5,9-10,13-14H2,1-3H3,(H2,29,31,32)/t20-/m1/s1
InChIKeyYMXWLVBKKOCNNX-HXUWFJFHSA-N
MW446.60 g/mol
LogP6.20
Rot. Bonds11

About 1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea

1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea (PubChem CID 143056501) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea
PubChem CID143056501
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea
SMILESCCC[C@H](CCCc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C27H34N4O2/c1-4-10-20(21-11-7-6-8-12-21)13-9-14-23-18-28-19-25(30-23)22-15-16-24(26(17-22)33-3)31-27(32)29-5-2/h6-8,11-12,15-20H,4-5,9-10,13-14H2,1-3H3,(H2,29,31,32)/t20-/m1/s1
InChIKeyYMXWLVBKKOCNNX-HXUWFJFHSA-N
XLogP6.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea with MolForge

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Related Compounds

1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
CID 159545880
1-[3-(diethylamino)propyl]-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11352655
1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1R)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
CID 122172982
1-ethyl-3-[2-methoxy-4-[4-methyl-6-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea;molecular hydrogen
CID 163291094
1-ethyl-3-[2-ethyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea;methane
CID 159365500
1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one
CID 58496565
N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide
CID 58496570
N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide
CID 58496567
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
CID 46647393
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea (CID 143056501) is 1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea is CCC[C@H](CCCc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1ccccc1.
What is the InChIKey of 1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea?
The InChIKey is YMXWLVBKKOCNNX-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-4-10-20(21-11-7-6-8-12-21)13-9-14-23-18-28-19-25(30-23)22-15-16-24(26(17-22)33-3)31-27(32)29-5-2/h6-8,11-12,15-20H,4-5,9-10,13-14H2,1-3H3,(H2,29,31,32)/t20-/m1/s1.
What are the key properties of 1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea?
1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea has a molecular weight of 446.60 g/mol, XLogP of 6.20, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea is sourced from PubChem (CID 143056501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).