2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide

C17H29N3O — CID 108995244

IUPAC2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(C)N(CC(=O)NCCCN(C)C)Cc1ccccc1
InChIInChI=1S/C17H29N3O/c1-15(2)20(13-16-9-6-5-7-10-16)14-17(21)18-11-8-12-19(3)4/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,18,21)
InChIKeyNQJBCPOORROISJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.96
Rot. Bonds9

About 2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide

2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 108995244) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID108995244
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(C)N(CC(=O)NCCCN(C)C)Cc1ccccc1
InChIInChI=1S/C17H29N3O/c1-15(2)20(13-16-9-6-5-7-10-16)14-17(21)18-11-8-12-19(3)4/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,18,21)
InChIKeyNQJBCPOORROISJ-UHFFFAOYSA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18131526
N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid
CID 60838463
2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
CID 55437170
2-(N-benzylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994706
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide
CID 22519768
N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109301738

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide (CID 108995244) is 2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide is CC(C)N(CC(=O)NCCCN(C)C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is NQJBCPOORROISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-15(2)20(13-16-9-6-5-7-10-16)14-17(21)18-11-8-12-19(3)4/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,18,21).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide?
2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 291.44 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 108995244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).