1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea

C18H35N3O2 — CID 111506167

IUPAC1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCC1CCCN1CC1CCCCC1
InChIInChI=1S/C18H35N3O2/c1-15(9-11-22)12-19-18(23)20-13-17-8-5-10-21(17)14-16-6-3-2-4-7-16/h15-17,22H,2-14H2,1H3,(H2,19,20,23)
InChIKeySRDYRUPZLDPKCJ-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.35
Rot. Bonds8

About 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea

1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111506167) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111506167
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCC1CCCN1CC1CCCCC1
InChIInChI=1S/C18H35N3O2/c1-15(9-11-22)12-19-18(23)20-13-17-8-5-10-21(17)14-16-6-3-2-4-7-16/h15-17,22H,2-14H2,1H3,(H2,19,20,23)
InChIKeySRDYRUPZLDPKCJ-UHFFFAOYSA-N
XLogP2.35
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505393
4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid
CID 106021011
4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid
CID 82014411
2-cyclopentyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66107291
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189
1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109499738
N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65458533
1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111505364
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide
CID 128904827

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111506167) is 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)NCC1CCCN1CC1CCCCC1.
What is the InChIKey of 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is SRDYRUPZLDPKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-15(9-11-22)12-19-18(23)20-13-17-8-5-10-21(17)14-16-6-3-2-4-7-16/h15-17,22H,2-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 325.50 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111506167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).