3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide

C20H26N4O2 — CID 55839174

IUPAC3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CN1CCCC1c1ccc[nH]1
InChIInChI=1S/C20H26N4O2/c21-19(25)10-13-24(14-16-6-2-1-3-7-16)20(26)15-23-12-5-9-18(23)17-8-4-11-22-17/h1-4,6-8,11,18,22H,5,9-10,12-15H2,(H2,21,25)
InChIKeyTWYQVNHYFYSWMK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.06
Rot. Bonds8

About 3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide

3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide (PubChem CID 55839174) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide
PubChem CID55839174
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CN1CCCC1c1ccc[nH]1
InChIInChI=1S/C20H26N4O2/c21-19(25)10-13-24(14-16-6-2-1-3-7-16)20(26)15-23-12-5-9-18(23)17-8-4-11-22-17/h1-4,6-8,11,18,22H,5,9-10,12-15H2,(H2,21,25)
InChIKeyTWYQVNHYFYSWMK-UHFFFAOYSA-N
XLogP2.06
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide
CID 41456553
N-(1,2-diphenylethyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 55766346
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
3-phenyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47028466
3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]propanamide
CID 41361089
(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
CID 104913263
4-[(3-amino-3-oxopropyl)-benzylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672388
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 47256655
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 51728109
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide (CID 55839174) is 3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide is NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCCC1c1ccc[nH]1.
What is the InChIKey of 3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide?
The InChIKey is TWYQVNHYFYSWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-19(25)10-13-24(14-16-6-2-1-3-7-16)20(26)15-23-12-5-9-18(23)17-8-4-11-22-17/h1-4,6-8,11,18,22H,5,9-10,12-15H2,(H2,21,25).
What are the key properties of 3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide?
3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]propanamide is sourced from PubChem (CID 55839174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).