2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide

C19H30N4O2 — CID 120704211

IUPAC2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
SMILESCCCCC(NC(=O)CNC)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C19H30N4O2/c1-3-4-10-17(22-18(24)14-20-2)19(25)21-15-8-7-9-16(13-15)23-11-5-6-12-23/h7-9,13,17,20H,3-6,10-12,14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyPDNVYCUQSOAVEO-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.12
Rot. Bonds9

About 2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide

2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide (PubChem CID 120704211) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide.

Molecular Properties

Compound Name2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
PubChem CID120704211
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
SMILESCCCCC(NC(=O)CNC)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C19H30N4O2/c1-3-4-10-17(22-18(24)14-20-2)19(25)21-15-8-7-9-16(13-15)23-11-5-6-12-23/h7-9,13,17,20H,3-6,10-12,14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyPDNVYCUQSOAVEO-UHFFFAOYSA-N
XLogP2.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 95766947
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 60622642
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 47093383
N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119872938
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
CID 60622282
4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 60622222
2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 119107045
2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide
CID 60622370
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
The IUPAC name of 2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide (CID 120704211) is 2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide.
What is the SMILES notation for 2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
The canonical SMILES for 2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide is CCCCC(NC(=O)CNC)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
The InChIKey is PDNVYCUQSOAVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-4-10-17(22-18(24)14-20-2)19(25)21-15-8-7-9-16(13-15)23-11-5-6-12-23/h7-9,13,17,20H,3-6,10-12,14H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide has a molecular weight of 346.48 g/mol, XLogP of 2.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide is sourced from PubChem (CID 120704211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).