4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide

C16H24N4O2 — CID 82069925

IUPAC4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(N)c(OCC#N)c1
InChIInChI=1S/C16H24N4O2/c1-3-20(4-2)10-5-9-19-16(21)13-6-7-14(18)15(12-13)22-11-8-17/h6-7,12H,3-5,9-11,18H2,1-2H3,(H,19,21)
InChIKeyDUPAKLUTOAVWBL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.63
Rot. Bonds9

About 4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide

4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide (PubChem CID 82069925) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide
PubChem CID82069925
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(N)c(OCC#N)c1
InChIInChI=1S/C16H24N4O2/c1-3-20(4-2)10-5-9-19-16(21)13-6-7-14(18)15(12-13)22-11-8-17/h6-7,12H,3-5,9-11,18H2,1-2H3,(H,19,21)
InChIKeyDUPAKLUTOAVWBL-UHFFFAOYSA-N
XLogP1.63
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide
CID 82546388
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide
CID 82070061
4-amino-3-(cyanomethoxy)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 82069934
4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide
CID 82069915
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide?
The IUPAC name of 4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide (CID 82069925) is 4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide.
What is the SMILES notation for 4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide?
The canonical SMILES for 4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide is CCN(CC)CCCNC(=O)c1ccc(N)c(OCC#N)c1.
What is the InChIKey of 4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide?
The InChIKey is DUPAKLUTOAVWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-20(4-2)10-5-9-19-16(21)13-6-7-14(18)15(12-13)22-11-8-17/h6-7,12H,3-5,9-11,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide?
4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide has a molecular weight of 304.39 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide is sourced from PubChem (CID 82069925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).