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

C17H28N3O3+ — CID 9438141

IUPAC1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea
SMILESCOc1ccccc1NC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1
InChIInChI=1S/C17H27N3O3/c1-13(2)11-20-8-9-23-14(12-20)10-18-17(21)19-15-6-4-5-7-16(15)22-3/h4-7,13-14H,8-12H2,1-3H3,(H2,18,19,21)/p+1/t14-/m1/s1
InChIKeyVJBIBEPXACRITD-CQSZACIVSA-O
MW322.43 g/mol
LogP0.76
Rot. Bonds6

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

1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea (PubChem CID 9438141) has the molecular formula C17H28N3O3+ and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea
PubChem CID9438141
Molecular FormulaC17H28N3O3+
Molecular Weight322.43 g/mol
Exact Mass322.21
IUPAC Name1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea
SMILESCOc1ccccc1NC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1
InChIInChI=1S/C17H27N3O3/c1-13(2)11-20-8-9-23-14(12-20)10-18-17(21)19-15-6-4-5-7-16(15)22-3/h4-7,13-14H,8-12H2,1-3H3,(H2,18,19,21)/p+1/t14-/m1/s1
InChIKeyVJBIBEPXACRITD-CQSZACIVSA-O
XLogP0.76
TPSA64.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-(2-methoxyphenyl)urea
CID 90635415
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CID 133204331
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-methoxyphenyl)urea
CID 51168449
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CID 9283756
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061
1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 95975277
1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea
CID 74245608
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CID 62539868
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea (CID 9438141) is 1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea is COc1ccccc1NC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea?
The InChIKey is VJBIBEPXACRITD-CQSZACIVSA-O. The full InChI is InChI=1S/C17H27N3O3/c1-13(2)11-20-8-9-23-14(12-20)10-18-17(21)19-15-6-4-5-7-16(15)22-3/h4-7,13-14H,8-12H2,1-3H3,(H2,18,19,21)/p+1/t14-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea?
1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea has a molecular weight of 322.43 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea is sourced from PubChem (CID 9438141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).