1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea

C16H25N3O2 — CID 98775452

IUPAC1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
SMILESCN(CCNC(=O)NC[C@H]1CCC[C@H]1O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-19(14-7-3-2-4-8-14)11-10-17-16(21)18-12-13-6-5-9-15(13)20/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H2,17,18,21)/t13-,15-/m1/s1
InChIKeyYFMBEQHLABHLTD-UKRRQHHQSA-N
MW291.39 g/mol
LogP1.58
Rot. Bonds6

About 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea

1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea (PubChem CID 98775452) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
PubChem CID98775452
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
SMILESCN(CCNC(=O)NC[C@H]1CCC[C@H]1O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-19(14-7-3-2-4-8-14)11-10-17-16(21)18-12-13-6-5-9-15(13)20/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H2,17,18,21)/t13-,15-/m1/s1
InChIKeyYFMBEQHLABHLTD-UKRRQHHQSA-N
XLogP1.58
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea with MolForge

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 110936506
1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea
CID 129422140
(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 61260470
3-(cyclopropylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61259203
cis-(1R,2S)-2-[2-(N-methylanilino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124524957
1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
CID 111335704
1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea
CID 112834837
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
(2R)-N-[2-(N-methylanilino)ethyl]piperidine-2-carboxamide
CID 103813393
1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 124575953
(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea?
The IUPAC name of 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea (CID 98775452) is 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea.
What is the SMILES notation for 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea?
The canonical SMILES for 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea is CN(CCNC(=O)NC[C@H]1CCC[C@H]1O)c1ccccc1.
What is the InChIKey of 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea?
The InChIKey is YFMBEQHLABHLTD-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(14-7-3-2-4-8-14)11-10-17-16(21)18-12-13-6-5-9-15(13)20/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H2,17,18,21)/t13-,15-/m1/s1.
What are the key properties of 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea?
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea has a molecular weight of 291.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea is sourced from PubChem (CID 98775452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).