N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide

C15H22N2O3 — CID 115581858

IUPACN-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)N2CCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-3-19-12-7-8-14(20-4-2)13(11-12)16-15(18)17-9-5-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,18)
InChIKeySBIXAQWAJBTXBP-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.11
Rot. Bonds5

About N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide

N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 115581858) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID115581858
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)N2CCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-3-19-12-7-8-14(20-4-2)13(11-12)16-15(18)17-9-5-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,18)
InChIKeySBIXAQWAJBTXBP-UHFFFAOYSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone
CID 28573510
4-ethoxy-3-(pyrrolidine-1-carbonylamino)benzenesulfonyl chloride
CID 2758788
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 118011626
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
N-(2,5-diethoxyphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 24564917
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
CID 43328839

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide (CID 115581858) is N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide is CCOc1ccc(OCC)c(NC(=O)N2CCCC2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is SBIXAQWAJBTXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-19-12-7-8-14(20-4-2)13(11-12)16-15(18)17-9-5-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide?
N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115581858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).