1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea

C18H26FN3O5 — CID 97341856

IUPAC1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea
SMILESCOCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC2CCCC2)c(F)c1
InChIInChI=1S/C18H26FN3O5/c1-12(26-10-9-25-2)17(23)21-22-18(24)20-13-7-8-16(15(19)11-13)27-14-5-3-4-6-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,21,23)(H2,20,22,24)/t12-/m0/s1
InChIKeyNFIZEFQTEGQFHB-LBPRGKRZSA-N
MW383.42 g/mol
LogP2.35
Rot. Bonds8

About 1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea

1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea (PubChem CID 97341856) has the molecular formula C18H26FN3O5 and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea.

Molecular Properties

Compound Name1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea
PubChem CID97341856
Molecular FormulaC18H26FN3O5
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC Name1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea
SMILESCOCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC2CCCC2)c(F)c1
InChIInChI=1S/C18H26FN3O5/c1-12(26-10-9-25-2)17(23)21-22-18(24)20-13-7-8-16(15(19)11-13)27-14-5-3-4-6-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,21,23)(H2,20,22,24)/t12-/m0/s1
InChIKeyNFIZEFQTEGQFHB-LBPRGKRZSA-N
XLogP2.35
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]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

(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
CID 120501730
1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111475511
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea
CID 97261314
dimethyl (E)-2-(4-cyclopentyloxy-3-fluoroanilino)but-2-enedioate
CID 168568895
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119811119
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60577123
3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111475508
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111750960
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 122145730
7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500
2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120987263

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea?
The IUPAC name of 1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea (CID 97341856) is 1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea.
What is the SMILES notation for 1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea?
The canonical SMILES for 1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea is COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC2CCCC2)c(F)c1.
What is the InChIKey of 1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea?
The InChIKey is NFIZEFQTEGQFHB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H26FN3O5/c1-12(26-10-9-25-2)17(23)21-22-18(24)20-13-7-8-16(15(19)11-13)27-14-5-3-4-6-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,21,23)(H2,20,22,24)/t12-/m0/s1.
What are the key properties of 1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea?
1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea has a molecular weight of 383.42 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea is sourced from PubChem (CID 97341856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).