1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea

C25H25N3O2 — CID 54326324

IUPAC1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(N=C1CCCN1Cc1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c29-25(27-24-12-7-17-28(24)18-20-8-3-1-4-9-20)26-22-13-15-23(16-14-22)30-19-21-10-5-2-6-11-21/h1-6,8-11,13-16H,7,12,17-19H2,(H,26,29)
InChIKeySVEQGZACXIPUJV-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.49
Rot. Bonds6

About 1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea

1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 54326324) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea
PubChem CID54326324
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(N=C1CCCN1Cc1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c29-25(27-24-12-7-17-28(24)18-20-8-3-1-4-9-20)26-22-13-15-23(16-14-22)30-19-21-10-5-2-6-11-21/h1-6,8-11,13-16H,7,12,17-19H2,(H,26,29)
InChIKeySVEQGZACXIPUJV-UHFFFAOYSA-N
XLogP5.49
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
4-phenylmethoxybenzoic acid
CID 68896574
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
1-(3-hydroxypropyl)-3-[4-[[4-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]urea
CID 23642222
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 11381752
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea
CID 2810884
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297617
3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide
CID 108944636
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea (CID 54326324) is 1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea is O=C(N=C1CCCN1Cc1ccccc1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is SVEQGZACXIPUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-25(27-24-12-7-17-28(24)18-20-8-3-1-4-9-20)26-22-13-15-23(16-14-22)30-19-21-10-5-2-6-11-21/h1-6,8-11,13-16H,7,12,17-19H2,(H,26,29).
What are the key properties of 1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea?
1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 399.49 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-2-ylidene)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 54326324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).