4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid

C14H20N2O5 — CID 70523631

IUPAC4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid
SMILESCN(C)C(=O)c1ccc(CCCN)cc1.O=C(O)C(=O)O
InChIInChI=1S/C12H18N2O.C2H2O4/c1-14(2)12(15)11-7-5-10(6-8-11)4-3-9-13;3-1(4)2(5)6/h5-8H,3-4,9,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyNIPHWHJTCZBVNB-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.44
Rot. Bonds4

About 4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid

4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid (PubChem CID 70523631) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid.

Molecular Properties

Compound Name4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid
PubChem CID70523631
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid
SMILESCN(C)C(=O)c1ccc(CCCN)cc1.O=C(O)C(=O)O
InChIInChI=1S/C12H18N2O.C2H2O4/c1-14(2)12(15)11-7-5-10(6-8-11)4-3-9-13;3-1(4)2(5)6/h5-8H,3-4,9,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyNIPHWHJTCZBVNB-UHFFFAOYSA-N
XLogP0.44
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(4-oxopentyl)benzamide
CID 10988164
4-(4-butylphenoxy)-N,N-dimethylbenzamide
CID 146305996
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704
4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide
CID 54058207
4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46422120
1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one
CID 152971743
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110307736

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid?
The IUPAC name of 4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid (CID 70523631) is 4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid.
What is the SMILES notation for 4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid?
The canonical SMILES for 4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid is CN(C)C(=O)c1ccc(CCCN)cc1.O=C(O)C(=O)O.
What is the InChIKey of 4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid?
The InChIKey is NIPHWHJTCZBVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C2H2O4/c1-14(2)12(15)11-7-5-10(6-8-11)4-3-9-13;3-1(4)2(5)6/h5-8H,3-4,9,13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid?
4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid has a molecular weight of 296.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid is sourced from PubChem (CID 70523631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).