1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea

C19H29N3O2 — CID 75423415

IUPAC1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea
SMILESCN(CC1CCC1)C(=O)NCC(c1cccc(O)c1)N1CCCC1
InChIInChI=1S/C19H29N3O2/c1-21(14-15-6-4-7-15)19(24)20-13-18(22-10-2-3-11-22)16-8-5-9-17(23)12-16/h5,8-9,12,15,18,23H,2-4,6-7,10-11,13-14H2,1H3,(H,20,24)
InChIKeyLUUVCIOZUGUKTN-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.97
Rot. Bonds6

About 1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea

1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea (PubChem CID 75423415) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea
PubChem CID75423415
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea
SMILESCN(CC1CCC1)C(=O)NCC(c1cccc(O)c1)N1CCCC1
InChIInChI=1S/C19H29N3O2/c1-21(14-15-6-4-7-15)19(24)20-13-18(22-10-2-3-11-22)16-8-5-9-17(23)12-16/h5,8-9,12,15,18,23H,2-4,6-7,10-11,13-14H2,1H3,(H,20,24)
InChIKeyLUUVCIOZUGUKTN-UHFFFAOYSA-N
XLogP2.97
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 95907758
1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112831555
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 97220649
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea
CID 95146031
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 95146032
3-cyclohexyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 43005794
3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896124
1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea
CID 71883834
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea (CID 75423415) is 1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea is CN(CC1CCC1)C(=O)NCC(c1cccc(O)c1)N1CCCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea?
The InChIKey is LUUVCIOZUGUKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21(14-15-6-4-7-15)19(24)20-13-18(22-10-2-3-11-22)16-8-5-9-17(23)12-16/h5,8-9,12,15,18,23H,2-4,6-7,10-11,13-14H2,1H3,(H,20,24).
What are the key properties of 1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea?
1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea has a molecular weight of 331.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea is sourced from PubChem (CID 75423415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).