1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea

C22H29N3O2 — CID 30311935

IUPAC1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCc1ccccc1[C@@H](C)NC(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17-5-3-4-6-21(17)18(2)24-22(26)23-15-19-7-9-20(10-8-19)16-25-11-13-27-14-12-25/h3-10,18H,11-16H2,1-2H3,(H2,23,24,26)/t18-/m1/s1
InChIKeyNXDYKWFWILLWDG-GOSISDBHSA-N
MW367.49 g/mol
LogP3.39
Rot. Bonds6

About 1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 30311935) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID30311935
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCc1ccccc1[C@@H](C)NC(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17-5-3-4-6-21(17)18(2)24-22(26)23-15-19-7-9-20(10-8-19)16-25-11-13-27-14-12-25/h3-10,18H,11-16H2,1-2H3,(H2,23,24,26)/t18-/m1/s1
InChIKeyNXDYKWFWILLWDG-GOSISDBHSA-N
XLogP3.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 42934834
1-[1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42954650
1-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55922918
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
N-[4-[[1-(2-methylphenyl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 42935867
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 86918572
1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 31647122
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 30311935) is 1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea is Cc1ccccc1[C@@H](C)NC(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is NXDYKWFWILLWDG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-5-3-4-6-21(17)18(2)24-22(26)23-15-19-7-9-20(10-8-19)16-25-11-13-27-14-12-25/h3-10,18H,11-16H2,1-2H3,(H2,23,24,26)/t18-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 367.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 30311935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).