N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide

C14H21N3O2 — CID 54819069

IUPACN,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
SMILESCCCNCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-4-8-15-10-13(18)16-12-7-5-6-11(9-12)14(19)17(2)3/h5-7,9,15H,4,8,10H2,1-3H3,(H,16,18)
InChIKeyUDDHAETWTMRTTF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.33
Rot. Bonds6

About N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide

N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide (PubChem CID 54819069) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
PubChem CID54819069
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
SMILESCCCNCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-4-8-15-10-13(18)16-12-7-5-6-11(9-12)14(19)17(2)3/h5-7,9,15H,4,8,10H2,1-3H3,(H,16,18)
InChIKeyUDDHAETWTMRTTF-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide (CID 54819069) is N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide is CCCNCC(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide?
The InChIKey is UDDHAETWTMRTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-8-15-10-13(18)16-12-7-5-6-11(9-12)14(19)17(2)3/h5-7,9,15H,4,8,10H2,1-3H3,(H,16,18).
What are the key properties of N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide?
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54819069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).