1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea

C16H25N3O2 — CID 129422140

IUPAC1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea
SMILESCCN(C)c1ccccc1NC(=O)NC[C@H]1CCC[C@H]1O
InChIInChI=1S/C16H25N3O2/c1-3-19(2)14-9-5-4-8-13(14)18-16(21)17-11-12-7-6-10-15(12)20/h4-5,8-9,12,15,20H,3,6-7,10-11H2,1-2H3,(H2,17,18,21)/t12-,15-/m1/s1
InChIKeyHYNVDOIWXBRYKM-IUODEOHRSA-N
MW291.39 g/mol
LogP2.43
Rot. Bonds5

About 1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea

1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea (PubChem CID 129422140) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea
PubChem CID129422140
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea
SMILESCCN(C)c1ccccc1NC(=O)NC[C@H]1CCC[C@H]1O
InChIInChI=1S/C16H25N3O2/c1-3-19(2)14-9-5-4-8-13(14)18-16(21)17-11-12-7-6-10-15(12)20/h4-5,8-9,12,15,20H,3,6-7,10-11H2,1-2H3,(H2,17,18,21)/t12-,15-/m1/s1
InChIKeyHYNVDOIWXBRYKM-IUODEOHRSA-N
XLogP2.43
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea
CID 91661600
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 98775452
1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 71992522
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974
1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 71917488
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037
(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346
1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437683

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea?
The IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea (CID 129422140) is 1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea is CCN(C)c1ccccc1NC(=O)NC[C@H]1CCC[C@H]1O.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea?
The InChIKey is HYNVDOIWXBRYKM-IUODEOHRSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19(2)14-9-5-4-8-13(14)18-16(21)17-11-12-7-6-10-15(12)20/h4-5,8-9,12,15,20H,3,6-7,10-11H2,1-2H3,(H2,17,18,21)/t12-,15-/m1/s1.
What are the key properties of 1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea?
1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea has a molecular weight of 291.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea is sourced from PubChem (CID 129422140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).