1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

C19H32N4O2 — CID 47025498

IUPAC1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCCCCC(CC)CNC(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C19H32N4O2/c1-3-5-6-16(4-2)14-21-19(24)22-15-17-7-8-20-18(13-17)23-9-11-25-12-10-23/h7-8,13,16H,3-6,9-12,14-15H2,1-2H3,(H2,21,22,24)
InChIKeyPGGOQRDZZPKVKJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.93
Rot. Bonds9

About 1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (PubChem CID 47025498) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
PubChem CID47025498
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCCCCC(CC)CNC(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C19H32N4O2/c1-3-5-6-16(4-2)14-21-19(24)22-15-17-7-8-20-18(13-17)23-9-11-25-12-10-23/h7-8,13,16H,3-6,9-12,14-15H2,1-2H3,(H2,21,22,24)
InChIKeyPGGOQRDZZPKVKJ-UHFFFAOYSA-N
XLogP2.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(3S)-3-phenylbutyl]urea
CID 52518727
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495
1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55697105
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974773
1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 47047056
1-(4-hydroxy-2-methylpentyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111454262
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455369
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32584933

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (CID 47025498) is 1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is CCCCC(CC)CNC(=O)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The InChIKey is PGGOQRDZZPKVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-5-6-16(4-2)14-21-19(24)22-15-17-7-8-20-18(13-17)23-9-11-25-12-10-23/h7-8,13,16H,3-6,9-12,14-15H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea has a molecular weight of 348.49 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 47025498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).