1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea

C17H26N2O4 — CID 126437318

IUPAC1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
SMILESCOc1cccc(OC[C@@H](O)CNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H26N2O4/c1-22-15-8-5-9-16(10-15)23-12-14(20)11-18-17(21)19-13-6-3-2-4-7-13/h5,8-10,13-14,20H,2-4,6-7,11-12H2,1H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyKFUDFFAYOJVYNO-AWEZNQCLSA-N
MW322.40 g/mol
LogP2.07
Rot. Bonds7

About 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea

1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea (PubChem CID 126437318) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
PubChem CID126437318
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
SMILESCOc1cccc(OC[C@@H](O)CNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H26N2O4/c1-22-15-8-5-9-16(10-15)23-12-14(20)11-18-17(21)19-13-6-3-2-4-7-13/h5,8-10,13-14,20H,2-4,6-7,11-12H2,1H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyKFUDFFAYOJVYNO-AWEZNQCLSA-N
XLogP2.07
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 126454365
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea
CID 119060836
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
1-[3-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
CID 3032075
N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide
CID 42480876
1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632231
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(3-methoxyphenoxy)acetamide
CID 95983036
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023538
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea (CID 126437318) is 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea is COc1cccc(OC[C@@H](O)CNC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea?
The InChIKey is KFUDFFAYOJVYNO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-22-15-8-5-9-16(10-15)23-12-14(20)11-18-17(21)19-13-6-3-2-4-7-13/h5,8-10,13-14,20H,2-4,6-7,11-12H2,1H3,(H2,18,19,21)/t14-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea?
1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea has a molecular weight of 322.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea is sourced from PubChem (CID 126437318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).