3-amino-2-(1-cyanopropoxy)benzamide

C11H13N3O2 — CID 107873452

IUPAC3-amino-2-(1-cyanopropoxy)benzamide
SMILESCCC(C#N)Oc1c(N)cccc1C(N)=O
InChIInChI=1S/C11H13N3O2/c1-2-7(6-12)16-10-8(11(14)15)4-3-5-9(10)13/h3-5,7H,2,13H2,1H3,(H2,14,15)
InChIKeyDQMYGNDCKCBPSU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.05
Rot. Bonds4

About 3-amino-2-(1-cyanopropoxy)benzamide

3-amino-2-(1-cyanopropoxy)benzamide (PubChem CID 107873452) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-amino-2-(1-cyanopropoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(1-cyanopropoxy)benzamide
PubChem CID107873452
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-amino-2-(1-cyanopropoxy)benzamide
SMILESCCC(C#N)Oc1c(N)cccc1C(N)=O
InChIInChI=1S/C11H13N3O2/c1-2-7(6-12)16-10-8(11(14)15)4-3-5-9(10)13/h3-5,7H,2,13H2,1H3,(H2,14,15)
InChIKeyDQMYGNDCKCBPSU-UHFFFAOYSA-N
XLogP1.05
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide
CID 107873513
1-cyanopropyl 3-amino-2-chlorobenzoate
CID 112580414
3-amino-2-nonoxybenzamide
CID 107873437
bis(2-amino-6-carbamoylphenyl) 2,3-dihydroxybutanedioate
CID 174596966
3-amino-2-(4-ethylphenoxy)benzamide
CID 112579580
3-amino-N-methyl-2-propan-2-yloxybenzamide
CID 154814948
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide
CID 137390518
3-amino-2-(4-methylpentan-2-yloxy)benzoic acid
CID 112579635
3-amino-2-(6-hydroxyhexoxy)benzamide
CID 114011440
methyl 3-amino-2-(3-methylbutan-2-yloxy)benzoate
CID 112579913
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-cyanopropoxy)benzamide?
The IUPAC name of 3-amino-2-(1-cyanopropoxy)benzamide (CID 107873452) is 3-amino-2-(1-cyanopropoxy)benzamide.
What is the SMILES notation for 3-amino-2-(1-cyanopropoxy)benzamide?
The canonical SMILES for 3-amino-2-(1-cyanopropoxy)benzamide is CCC(C#N)Oc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-(1-cyanopropoxy)benzamide?
The InChIKey is DQMYGNDCKCBPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-7(6-12)16-10-8(11(14)15)4-3-5-9(10)13/h3-5,7H,2,13H2,1H3,(H2,14,15).
What are the key properties of 3-amino-2-(1-cyanopropoxy)benzamide?
3-amino-2-(1-cyanopropoxy)benzamide has a molecular weight of 219.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-cyanopropoxy)benzamide is sourced from PubChem (CID 107873452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).