1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea

C23H32N4O2 — CID 42962719

IUPAC1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESCCC(CC)C(NC(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1
InChIInChI=1S/C23H32N4O2/c1-3-19(4-2)22(20-8-6-5-7-9-20)26-23(28)25-17-18-10-11-21(24-16-18)27-12-14-29-15-13-27/h5-11,16,19,22H,3-4,12-15,17H2,1-2H3,(H2,25,26,28)
InChIKeyNNKXWYSXWPCKLE-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.89
Rot. Bonds8

About 1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea

1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea (PubChem CID 42962719) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
PubChem CID42962719
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESCCC(CC)C(NC(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1
InChIInChI=1S/C23H32N4O2/c1-3-19(4-2)22(20-8-6-5-7-9-20)26-23(28)25-17-18-10-11-21(24-16-18)27-12-14-29-15-13-27/h5-11,16,19,22H,3-4,12-15,17H2,1-2H3,(H2,25,26,28)
InChIKeyNNKXWYSXWPCKLE-UHFFFAOYSA-N
XLogP3.89
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
1-[(2S)-1-methoxypropan-2-yl]-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 34669155
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 51957434
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 24613316
2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47046949
1-(2-methoxyphenyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41430289
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea (CID 42962719) is 1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea is CCC(CC)C(NC(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1.
What is the InChIKey of 1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea?
The InChIKey is NNKXWYSXWPCKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-3-19(4-2)22(20-8-6-5-7-9-20)26-23(28)25-17-18-10-11-21(24-16-18)27-12-14-29-15-13-27/h5-11,16,19,22H,3-4,12-15,17H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea?
1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea has a molecular weight of 396.54 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 42962719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).