1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea

C18H27N3O2 — CID 97215316

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NC[C@@H](c1ccccc1)N1CCCC1)NCC1(O)CCC1
InChIInChI=1S/C18H27N3O2/c22-17(20-14-18(23)9-6-10-18)19-13-16(21-11-4-5-12-21)15-7-2-1-3-8-15/h1-3,7-8,16,23H,4-6,9-14H2,(H2,19,20,22)/t16-/m0/s1
InChIKeyWNBCJOSCAXLPAV-INIZCTEOSA-N
MW317.43 g/mol
LogP2.04
Rot. Bonds6

About 1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea

1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea (PubChem CID 97215316) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
PubChem CID97215316
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NC[C@@H](c1ccccc1)N1CCCC1)NCC1(O)CCC1
InChIInChI=1S/C18H27N3O2/c22-17(20-14-18(23)9-6-10-18)19-13-16(21-11-4-5-12-21)15-7-2-1-3-8-15/h1-3,7-8,16,23H,4-6,9-14H2,(H2,19,20,22)/t16-/m0/s1
InChIKeyWNBCJOSCAXLPAV-INIZCTEOSA-N
XLogP2.04
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 97078924
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775
1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 111337736
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55436420
1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892520
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 43063545

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea (CID 97215316) is 1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea is O=C(NC[C@@H](c1ccccc1)N1CCCC1)NCC1(O)CCC1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea?
The InChIKey is WNBCJOSCAXLPAV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-17(20-14-18(23)9-6-10-18)19-13-16(21-11-4-5-12-21)15-7-2-1-3-8-15/h1-3,7-8,16,23H,4-6,9-14H2,(H2,19,20,22)/t16-/m0/s1.
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 317.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 97215316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).