1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea

C19H29N3O2 — CID 95762745

IUPAC1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)NCc1ccccc1N1CCCC1
InChIInChI=1S/C19H29N3O2/c1-2-21(15-17-9-7-13-24-17)19(23)20-14-16-8-3-4-10-18(16)22-11-5-6-12-22/h3-4,8,10,17H,2,5-7,9,11-15H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeySVVVCYNETJDWLA-KRWDZBQOSA-N
MW331.46 g/mol
LogP3.00
Rot. Bonds6

About 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea

1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea (PubChem CID 95762745) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea
PubChem CID95762745
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)NCc1ccccc1N1CCCC1
InChIInChI=1S/C19H29N3O2/c1-2-21(15-17-9-7-13-24-17)19(23)20-14-16-8-3-4-10-18(16)22-11-5-6-12-22/h3-4,8,10,17H,2,5-7,9,11-15H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeySVVVCYNETJDWLA-KRWDZBQOSA-N
XLogP3.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea with MolForge

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Related Compounds

1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 95762761
3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95598545
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea
CID 97099557
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984
1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 126429384
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 110013047
3-[(2-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121499245
ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
CID 60580696
1-[(2-methylphenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 126441875
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
N-ethyl-4-(4-methylpiperazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95130462

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The IUPAC name of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea (CID 95762745) is 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea is CCN(C[C@@H]1CCCO1)C(=O)NCc1ccccc1N1CCCC1.
What is the InChIKey of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The InChIKey is SVVVCYNETJDWLA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-21(15-17-9-7-13-24-17)19(23)20-14-16-8-3-4-10-18(16)22-11-5-6-12-22/h3-4,8,10,17H,2,5-7,9,11-15H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea has a molecular weight of 331.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea is sourced from PubChem (CID 95762745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).