1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea

C16H24N2O3 — CID 99792914

IUPAC1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC[C@@H]2CC[C@H](O)C2)cc1C
InChIInChI=1S/C16H24N2O3/c1-11-7-12(4-6-15(11)21-2)9-17-16(20)18-10-13-3-5-14(19)8-13/h4,6-7,13-14,19H,3,5,8-10H2,1-2H3,(H2,17,18,20)/t13-,14+/m1/s1
InChIKeyLPJULNMWSKXJLH-KGLIPLIRSA-N
MW292.38 g/mol
LogP1.96
Rot. Bonds5

About 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea

1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea (PubChem CID 99792914) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
PubChem CID99792914
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC[C@@H]2CC[C@H](O)C2)cc1C
InChIInChI=1S/C16H24N2O3/c1-11-7-12(4-6-15(11)21-2)9-17-16(20)18-10-13-3-5-14(19)8-13/h4,6-7,13-14,19H,3,5,8-10H2,1-2H3,(H2,17,18,20)/t13-,14+/m1/s1
InChIKeyLPJULNMWSKXJLH-KGLIPLIRSA-N
XLogP1.96
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea with MolForge

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Related Compounds

1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea
CID 99858814
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
CID 86819026
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111630857
1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
CID 122134358
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1R,3S)-3-hydroxycyclohexyl]urea
CID 95983969
1-[(3-bromo-4-methoxyphenyl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95158953
1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 115207484

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The IUPAC name of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea (CID 99792914) is 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea is COc1ccc(CNC(=O)NC[C@@H]2CC[C@H](O)C2)cc1C.
What is the InChIKey of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The InChIKey is LPJULNMWSKXJLH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-7-12(4-6-15(11)21-2)9-17-16(20)18-10-13-3-5-14(19)8-13/h4,6-7,13-14,19H,3,5,8-10H2,1-2H3,(H2,17,18,20)/t13-,14+/m1/s1.
What are the key properties of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea?
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea is sourced from PubChem (CID 99792914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).