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

C18H29N3O3 — CID 42889274

IUPAC1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
SMILESCOc1ccc(CNC(=O)NCC2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C18H29N3O3/c1-14(2)12-21-8-9-24-17(13-21)11-20-18(22)19-10-15-4-6-16(23-3)7-5-15/h4-7,14,17H,8-13H2,1-3H3,(H2,19,20,22)
InChIKeyBLIBWOHEOZUAMG-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.85
Rot. Bonds7

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

1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (PubChem CID 42889274) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
PubChem CID42889274
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
SMILESCOc1ccc(CNC(=O)NCC2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C18H29N3O3/c1-14(2)12-21-8-9-24-17(13-21)11-20-18(22)19-10-15-4-6-16(23-3)7-5-15/h4-7,14,17H,8-13H2,1-3H3,(H2,19,20,22)
InChIKeyBLIBWOHEOZUAMG-UHFFFAOYSA-N
XLogP1.85
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methoxynaphthalen-2-yl)methyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369271
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51226589
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55551459
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(4-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111369856
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369171
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 55938732
1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798763
1-benzyl-3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiourea
CID 9283755
5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8511285
5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8511292
N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide
CID 9268036
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-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (CID 42889274) is 1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is COc1ccc(CNC(=O)NCC2CN(CC(C)C)CCO2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The InChIKey is BLIBWOHEOZUAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14(2)12-21-8-9-24-17(13-21)11-20-18(22)19-10-15-4-6-16(23-3)7-5-15/h4-7,14,17H,8-13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea has a molecular weight of 335.45 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is sourced from PubChem (CID 42889274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).