4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide

C16H27N3O — CID 110486010

IUPAC4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
SMILESCCN(CC)CCCCNC(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C16H27N3O/c1-4-19(5-2)11-7-6-10-18-16(20)14-8-9-15(17)13(3)12-14/h8-9,12H,4-7,10-11,17H2,1-3H3,(H,18,20)
InChIKeyRXWTYWXKWJQONL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.43
Rot. Bonds8

About 4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide

4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide (PubChem CID 110486010) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
PubChem CID110486010
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
SMILESCCN(CC)CCCCNC(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C16H27N3O/c1-4-19(5-2)11-7-6-10-18-16(20)14-8-9-15(17)13(3)12-14/h8-9,12H,4-7,10-11,17H2,1-3H3,(H,18,20)
InChIKeyRXWTYWXKWJQONL-UHFFFAOYSA-N
XLogP2.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide
CID 82546388
4-amino-3-methyl-N-octylbenzamide
CID 115565914
2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
CID 110485996
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
CID 143395890
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
N-[3-(diethylamino)propyl]-3-methyl-4-nitrobenzamide
CID 2163235
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide?
The IUPAC name of 4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide (CID 110486010) is 4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide?
The canonical SMILES for 4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide is CCN(CC)CCCCNC(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide?
The InChIKey is RXWTYWXKWJQONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19(5-2)11-7-6-10-18-16(20)14-8-9-15(17)13(3)12-14/h8-9,12H,4-7,10-11,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide?
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide has a molecular weight of 277.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide is sourced from PubChem (CID 110486010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).