2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride

C20H34Cl2N4O2 — CID 119872864

IUPAC2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
SMILESCCCC(NC(=O)C(C)CNC)C(=O)Nc1cccc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C20H32N4O2.2ClH/c1-4-8-18(23-19(25)15(2)14-21-3)20(26)22-16-9-7-10-17(13-16)24-11-5-6-12-24;;/h7,9-10,13,15,18,21H,4-6,8,11-12,14H2,1-3H3,(H,22,26)(H,23,25);2*1H
InChIKeyOLULDDCEISXSPN-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.21
Rot. Bonds9

About 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride

2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride (PubChem CID 119872864) has the molecular formula C20H34Cl2N4O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
PubChem CID119872864
Molecular FormulaC20H34Cl2N4O2
Molecular Weight433.42 g/mol
Exact Mass432.21
IUPAC Name2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
SMILESCCCC(NC(=O)C(C)CNC)C(=O)Nc1cccc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C20H32N4O2.2ClH/c1-4-8-18(23-19(25)15(2)14-21-3)20(26)22-16-9-7-10-17(13-16)24-11-5-6-12-24;;/h7,9-10,13,15,18,21H,4-6,8,11-12,14H2,1-3H3,(H,22,26)(H,23,25);2*1H
InChIKeyOLULDDCEISXSPN-UHFFFAOYSA-N
XLogP3.21
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 119872875
N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide
CID 86878307
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119863681
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide
CID 71857290
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218
N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119872938
5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide
CID 51133026
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
CID 167844025
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 119107208

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride?
The IUPAC name of 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride (CID 119872864) is 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride.
What is the SMILES notation for 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride?
The canonical SMILES for 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride is CCCC(NC(=O)C(C)CNC)C(=O)Nc1cccc(N2CCCC2)c1.Cl.Cl.
What is the InChIKey of 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride?
The InChIKey is OLULDDCEISXSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2.2ClH/c1-4-8-18(23-19(25)15(2)14-21-3)20(26)22-16-9-7-10-17(13-16)24-11-5-6-12-24;;/h7,9-10,13,15,18,21H,4-6,8,11-12,14H2,1-3H3,(H,22,26)(H,23,25);2*1H.
What are the key properties of 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride?
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride has a molecular weight of 433.42 g/mol, XLogP of 3.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride is sourced from PubChem (CID 119872864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).