3-azido-N-[3-(dimethylamino)propyl]benzamide

C12H17N5O — CID 135993055

IUPAC3-azido-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C12H17N5O/c1-17(2)8-4-7-14-12(18)10-5-3-6-11(9-10)15-16-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,18)
InChIKeyMDBZZNKKFBOLAW-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.31
Rot. Bonds6

About 3-azido-N-[3-(dimethylamino)propyl]benzamide

3-azido-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 135993055) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-azido-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-azido-N-[3-(dimethylamino)propyl]benzamide
PubChem CID135993055
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-azido-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C12H17N5O/c1-17(2)8-4-7-14-12(18)10-5-3-6-11(9-10)15-16-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,18)
InChIKeyMDBZZNKKFBOLAW-UHFFFAOYSA-N
XLogP2.31
TPSA81.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109053413
1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 109053436
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
1-N-[3-(dimethylamino)propyl]-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053455
N-[3-(dimethylamino)propyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 2769538
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
4-azido-N-[3-(dimethylamino)propyl]-2,3,5,6-tetrafluorobenzamide
CID 101443600
1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053461

Frequently Asked Questions

What is the IUPAC name of 3-azido-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 3-azido-N-[3-(dimethylamino)propyl]benzamide (CID 135993055) is 3-azido-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 3-azido-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 3-azido-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1cccc(N=[N+]=[N-])c1.
What is the InChIKey of 3-azido-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is MDBZZNKKFBOLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-17(2)8-4-7-14-12(18)10-5-3-6-11(9-10)15-16-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,18).
What are the key properties of 3-azido-N-[3-(dimethylamino)propyl]benzamide?
3-azido-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 247.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 135993055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).