1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea

C19H31N3O2 — CID 110304148

IUPAC1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
SMILESCc1cccc(C(CNC(=O)NCCC(C)C)N2CCOCC2)c1
InChIInChI=1S/C19H31N3O2/c1-15(2)7-8-20-19(23)21-14-18(22-9-11-24-12-10-22)17-6-4-5-16(3)13-17/h4-6,13,15,18H,7-12,14H2,1-3H3,(H2,20,21,23)
InChIKeyIXVONRLTDYDLGI-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.71
Rot. Bonds7

About 1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea

1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea (PubChem CID 110304148) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
PubChem CID110304148
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
SMILESCc1cccc(C(CNC(=O)NCCC(C)C)N2CCOCC2)c1
InChIInChI=1S/C19H31N3O2/c1-15(2)7-8-20-19(23)21-14-18(22-9-11-24-12-10-22)17-6-4-5-16(3)13-17/h4-6,13,15,18H,7-12,14H2,1-3H3,(H2,20,21,23)
InChIKeyIXVONRLTDYDLGI-UHFFFAOYSA-N
XLogP2.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 86993137
1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea
CID 110302826
3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849677
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 86943137
3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
CID 39226854
2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 110304123
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide
CID 167784651
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978911

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea (CID 110304148) is 1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea is Cc1cccc(C(CNC(=O)NCCC(C)C)N2CCOCC2)c1.
What is the InChIKey of 1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea?
The InChIKey is IXVONRLTDYDLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)7-8-20-19(23)21-14-18(22-9-11-24-12-10-22)17-6-4-5-16(3)13-17/h4-6,13,15,18H,7-12,14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea?
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 110304148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).