2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide

C18H26N2O2 — CID 122572962

IUPAC2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCCCCC1C=CCN1C(=O)NCCOCc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-2-3-10-17-11-7-13-20(17)18(21)19-12-14-22-15-16-8-5-4-6-9-16/h4-9,11,17H,2-3,10,12-15H2,1H3,(H,19,21)
InChIKeyDHFLYYUUUPSVTF-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.34
Rot. Bonds8

About 2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide

2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide (PubChem CID 122572962) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide
PubChem CID122572962
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCCCCC1C=CCN1C(=O)NCCOCc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-2-3-10-17-11-7-13-20(17)18(21)19-12-14-22-15-16-8-5-4-6-9-16/h4-9,11,17H,2-3,10,12-15H2,1H3,(H,19,21)
InChIKeyDHFLYYUUUPSVTF-UHFFFAOYSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 126432982
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CID 3875168
4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
CID 122567532
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CID 91918376
1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea
CID 96831919
N-butyl-2-phenylmethoxyacetamide
CID 126717674
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine
CID 111964503
butoxymethylbenzene;ethane
CID 145341806

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of 2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide (CID 122572962) is 2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for 2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for 2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide is CCCCC1C=CCN1C(=O)NCCOCc1ccccc1.
What is the InChIKey of 2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is DHFLYYUUUPSVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-3-10-17-11-7-13-20(17)18(21)19-12-14-22-15-16-8-5-4-6-9-16/h4-9,11,17H,2-3,10,12-15H2,1H3,(H,19,21).
What are the key properties of 2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide?
2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 122572962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).