4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide

C14H21N3O3 — CID 108542960

IUPAC4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
SMILESCOCC(=O)NCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N3O3/c1-17(2)12-6-4-11(5-7-12)14(19)16-9-8-15-13(18)10-20-3/h4-7H,8-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyQDPQBXGPOYRXPY-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.25
Rot. Bonds7

About 4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide

4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide (PubChem CID 108542960) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
PubChem CID108542960
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
SMILESCOCC(=O)NCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N3O3/c1-17(2)12-6-4-11(5-7-12)14(19)16-9-8-15-13(18)10-20-3/h4-7H,8-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyQDPQBXGPOYRXPY-UHFFFAOYSA-N
XLogP0.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.25
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

N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-(dimethylamino)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108540008
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide
CID 108574903
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108543039
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide
CID 108574925
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide (CID 108542960) is 4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide is COCC(=O)NCCNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
The InChIKey is QDPQBXGPOYRXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(2)12-6-4-11(5-7-12)14(19)16-9-8-15-13(18)10-20-3/h4-7H,8-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 108542960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).