1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea

C21H28N4O4 — CID 75456130

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(CN3CCOCC3)cn2)cc1OC
InChIInChI=1S/C21H28N4O4/c1-27-18-5-3-16(13-19(18)28-2)7-8-22-21(26)24-20-6-4-17(14-23-20)15-25-9-11-29-12-10-25/h3-6,13-14H,7-12,15H2,1-2H3,(H2,22,23,24,26)
InChIKeyCNBLXOPYPMJTLN-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.30
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea (PubChem CID 75456130) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea
PubChem CID75456130
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(CN3CCOCC3)cn2)cc1OC
InChIInChI=1S/C21H28N4O4/c1-27-18-5-3-16(13-19(18)28-2)7-8-22-21(26)24-20-6-4-17(14-23-20)15-25-9-11-29-12-10-25/h3-6,13-14H,7-12,15H2,1-2H3,(H2,22,23,24,26)
InChIKeyCNBLXOPYPMJTLN-UHFFFAOYSA-N
XLogP2.30
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505704
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730938
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
1-(5-bromo-4-cyano-2-pyridinyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 75510481
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 142592652
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8682147
N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide
CID 25337509
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea (CID 75456130) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea is COc1ccc(CCNC(=O)Nc2ccc(CN3CCOCC3)cn2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea?
The InChIKey is CNBLXOPYPMJTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-27-18-5-3-16(13-19(18)28-2)7-8-22-21(26)24-20-6-4-17(14-23-20)15-25-9-11-29-12-10-25/h3-6,13-14H,7-12,15H2,1-2H3,(H2,22,23,24,26).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea has a molecular weight of 400.48 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea is sourced from PubChem (CID 75456130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).