N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide

C16H26N2O — CID 127120142

IUPACN-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide
SMILESCCN(CC)CCCNC(=O)Cc1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-4-18(5-2)11-7-10-17-16(19)13-15-9-6-8-14(3)12-15/h6,8-9,12H,4-5,7,10-11,13H2,1-3H3,(H,17,19)
InChIKeyYVPVSQRHEOMQHJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.39
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide

N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide (PubChem CID 127120142) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide
PubChem CID127120142
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide
SMILESCCN(CC)CCCNC(=O)Cc1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-4-18(5-2)11-7-10-17-16(19)13-15-9-6-8-14(3)12-15/h6,8-9,12H,4-5,7,10-11,13H2,1-3H3,(H,17,19)
InChIKeyYVPVSQRHEOMQHJ-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542
N-(6-bromohexyl)-2-(3-methylphenyl)acetamide
CID 107847492
N-(5-bromo-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 106157270
1-[3-(diethylamino)propyl]-3-ethyl-2-[(3-methylphenyl)methyl]guanidine
CID 111901375
2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62388737
N-(5-hydroxy-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 113340866
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113058905
(2S)-2-hydroxy-4-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 107834540
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 114151356
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112995384
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide (CID 127120142) is N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide is CCN(CC)CCCNC(=O)Cc1cccc(C)c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide?
The InChIKey is YVPVSQRHEOMQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(5-2)11-7-10-17-16(19)13-15-9-6-8-14(3)12-15/h6,8-9,12H,4-5,7,10-11,13H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide?
N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 127120142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).