2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide

C20H32N4O — CID 153374000

IUPAC2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide
SMILESCCC(NC(=O)CC#N)c1cccc(NCCCCN(CC)CC)c1
InChIInChI=1S/C20H32N4O/c1-4-19(23-20(25)12-13-21)17-10-9-11-18(16-17)22-14-7-8-15-24(5-2)6-3/h9-11,16,19,22H,4-8,12,14-15H2,1-3H3,(H,23,25)
InChIKeyNLPWSXKMYSXFTG-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.70
Rot. Bonds12

About 2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide

2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide (PubChem CID 153374000) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide
PubChem CID153374000
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide
SMILESCCC(NC(=O)CC#N)c1cccc(NCCCCN(CC)CC)c1
InChIInChI=1S/C20H32N4O/c1-4-19(23-20(25)12-13-21)17-10-9-11-18(16-17)22-14-7-8-15-24(5-2)6-3/h9-11,16,19,22H,4-8,12,14-15H2,1-3H3,(H,23,25)
InChIKeyNLPWSXKMYSXFTG-UHFFFAOYSA-N
XLogP3.70
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(diethylamino)propylamino]phenol
CID 83813650
2-cyano-N-[4-(diethylamino)butyl]acetamide
CID 22689010
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
4-[3-(diethylamino)propylamino]-2-fluorobenzonitrile
CID 113295496
2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 59578769
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
2-cyano-N-[(1R)-1-phenylethyl]acetamide
CID 2164179
2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 22687978
methyl (3S)-3-[(2-cyanoacetyl)amino]-3-phenylpropanoate
CID 96917611
2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide
CID 126785808
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide
CID 60849558

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide?
The IUPAC name of 2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide (CID 153374000) is 2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide?
The canonical SMILES for 2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide is CCC(NC(=O)CC#N)c1cccc(NCCCCN(CC)CC)c1.
What is the InChIKey of 2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide?
The InChIKey is NLPWSXKMYSXFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-4-19(23-20(25)12-13-21)17-10-9-11-18(16-17)22-14-7-8-15-24(5-2)6-3/h9-11,16,19,22H,4-8,12,14-15H2,1-3H3,(H,23,25).
What are the key properties of 2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide?
2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 3.70, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide is sourced from PubChem (CID 153374000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).