1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide

C21H31N3O5 — CID 56544385

IUPAC1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCCOc1ccc(C(=O)NCC(=O)N2CCCC2C(=O)NC)cc1OCCC
InChIInChI=1S/C21H31N3O5/c1-4-11-28-17-9-8-15(13-18(17)29-12-5-2)20(26)23-14-19(25)24-10-6-7-16(24)21(27)22-3/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyVMTZOHUQNYWCDX-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.73
Rot. Bonds10

About 1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56544385) has the molecular formula C21H31N3O5 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56544385
Molecular FormulaC21H31N3O5
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC Name1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCCOc1ccc(C(=O)NCC(=O)N2CCCC2C(=O)NC)cc1OCCC
InChIInChI=1S/C21H31N3O5/c1-4-11-28-17-9-8-15(13-18(17)29-12-5-2)20(26)23-14-19(25)24-10-6-7-16(24)21(27)22-3/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyVMTZOHUQNYWCDX-UHFFFAOYSA-N
XLogP1.73
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963
1-[2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 138042183
N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide
CID 60549837
2-[2-ethoxy-4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119182696
2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152075
1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544359
1-[2-[3-[(4-bromobenzoyl)amino]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56534137
2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 120550261
1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56534236
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136578451

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 56544385) is 1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide is CCCOc1ccc(C(=O)NCC(=O)N2CCCC2C(=O)NC)cc1OCCC.
What is the InChIKey of 1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is VMTZOHUQNYWCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O5/c1-4-11-28-17-9-8-15(13-18(17)29-12-5-2)20(26)23-14-19(25)24-10-6-7-16(24)21(27)22-3/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of 1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 1.73, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56544385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).