1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea

C17H27N3O2 — CID 4798763

IUPAC1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C17H27N3O2/c1-13(2)11-20-8-9-22-16(12-20)10-18-17(21)19-15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H2,18,19,21)
InChIKeyXQDLZQULWYUSPA-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.47
Rot. Bonds5

About 1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea

1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (PubChem CID 4798763) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
PubChem CID4798763
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C17H27N3O2/c1-13(2)11-20-8-9-22-16(12-20)10-18-17(21)19-15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H2,18,19,21)
InChIKeyXQDLZQULWYUSPA-UHFFFAOYSA-N
XLogP2.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-[[(4-methylphenyl)carbamoylamino]methyl]piperidin-1-yl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 95348473
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94178633
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 120669400
N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide
CID 9268036
N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
CID 111368761
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55402241
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921662
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 42889274
1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 60547093

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (CID 4798763) is 1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is Cc1ccc(NC(=O)NCC2CN(CC(C)C)CCO2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The InChIKey is XQDLZQULWYUSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)11-20-8-9-22-16(12-20)10-18-17(21)19-15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea has a molecular weight of 305.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is sourced from PubChem (CID 4798763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).