1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea

C18H26N2O3 — CID 99858682

IUPAC1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
SMILESCOc1ccc([C@H](NC(=O)NC[C@H]2CC[C@@H](O)C2)C2CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-23-16-8-5-14(6-9-16)17(13-3-4-13)20-18(22)19-11-12-2-7-15(21)10-12/h5-6,8-9,12-13,15,17,21H,2-4,7,10-11H2,1H3,(H2,19,20,22)/t12-,15+,17+/m0/s1
InChIKeyIWDGCLVTUXZCMM-XGWLTEMNSA-N
MW318.42 g/mol
LogP2.61
Rot. Bonds6

About 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea

1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea (PubChem CID 99858682) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
PubChem CID99858682
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
SMILESCOc1ccc([C@H](NC(=O)NC[C@H]2CC[C@@H](O)C2)C2CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-23-16-8-5-14(6-9-16)17(13-3-4-13)20-18(22)19-11-12-2-7-15(21)10-12/h5-6,8-9,12-13,15,17,21H,2-4,7,10-11H2,1H3,(H2,19,20,22)/t12-,15+,17+/m0/s1
InChIKeyIWDGCLVTUXZCMM-XGWLTEMNSA-N
XLogP2.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 17435926
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 134042612
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 65229390
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697842
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 99775305
1-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 94028869
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The IUPAC name of 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea (CID 99858682) is 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea.
What is the SMILES notation for 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The canonical SMILES for 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea is COc1ccc([C@H](NC(=O)NC[C@H]2CC[C@@H](O)C2)C2CC2)cc1.
What is the InChIKey of 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The InChIKey is IWDGCLVTUXZCMM-XGWLTEMNSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-16-8-5-14(6-9-16)17(13-3-4-13)20-18(22)19-11-12-2-7-15(21)10-12/h5-6,8-9,12-13,15,17,21H,2-4,7,10-11H2,1H3,(H2,19,20,22)/t12-,15+,17+/m0/s1.
What are the key properties of 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea has a molecular weight of 318.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea is sourced from PubChem (CID 99858682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).