1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea

C18H28N2O3 — CID 86819026

IUPAC1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC2CCC(O)C2)c(OC(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-12(2)23-17-8-13(3)4-6-15(17)11-20-18(22)19-10-14-5-7-16(21)9-14/h4,6,8,12,14,16,21H,5,7,9-11H2,1-3H3,(H2,19,20,22)
InChIKeyBREJBIWASNILPR-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.74
Rot. Bonds6

About 1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea

1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea (PubChem CID 86819026) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
PubChem CID86819026
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC2CCC(O)C2)c(OC(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-12(2)23-17-8-13(3)4-6-15(17)11-20-18(22)19-10-14-5-7-16(21)9-14/h4,6,8,12,14,16,21H,5,7,9-11H2,1-3H3,(H2,19,20,22)
InChIKeyBREJBIWASNILPR-UHFFFAOYSA-N
XLogP2.74
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea with MolForge

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Related Compounds

1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 99792914
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119811574
(2S,5R)-5-(aminomethyl)-N-[(4-methyl-2-propan-2-yloxyphenyl)methyl]oxolane-2-carboxamide
CID 120795614
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]urea
CID 97055333
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
CID 109398837
1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506164
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 103279879
1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99830440
1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
CID 111975000
2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103280459
1-[[(1S,3S)-3-hydroxycyclopentyl]methyl]-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea
CID 99828844
2-(cyclopropylmethylamino)-N-[(2-methoxy-4-methylphenyl)methyl]acetamide
CID 119808693

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea (CID 86819026) is 1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea is Cc1ccc(CNC(=O)NCC2CCC(O)C2)c(OC(C)C)c1.
What is the InChIKey of 1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is BREJBIWASNILPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)23-17-8-13(3)4-6-15(17)11-20-18(22)19-10-14-5-7-16(21)9-14/h4,6,8,12,14,16,21H,5,7,9-11H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea?
1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 86819026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).