2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide

C16H27N3O — CID 110485996

IUPAC2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
SMILESCCN(CC)CCCCNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C16H27N3O/c1-4-19(5-2)11-7-6-10-18-16(20)14-12-13(3)8-9-15(14)17/h8-9,12H,4-7,10-11,17H2,1-3H3,(H,18,20)
InChIKeyLNPXPZYQNISEHZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.43
Rot. Bonds8

About 2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide

2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide (PubChem CID 110485996) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
PubChem CID110485996
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
SMILESCCN(CC)CCCCNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C16H27N3O/c1-4-19(5-2)11-7-6-10-18-16(20)14-12-13(3)8-9-15(14)17/h8-9,12H,4-7,10-11,17H2,1-3H3,(H,18,20)
InChIKeyLNPXPZYQNISEHZ-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

4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
2-amino-N-(3-ethylsulfanylpropyl)-5-methylbenzamide
CID 114247737
ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
CID 64576957
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
2,4-diamino-N-[3-(diethylamino)propyl]benzamide
CID 21398349
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 83108048
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107836086

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide (CID 110485996) is 2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide is CCN(CC)CCCCNC(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide?
The InChIKey is LNPXPZYQNISEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19(5-2)11-7-6-10-18-16(20)14-12-13(3)8-9-15(14)17/h8-9,12H,4-7,10-11,17H2,1-3H3,(H,18,20).
What are the key properties of 2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide?
2-amino-N-[4-(diethylamino)butyl]-5-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 2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide is sourced from PubChem (CID 110485996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).