4-amino-N,N-dibutyl-3-methylbenzamide

C16H26N2O — CID 28982328

IUPAC4-amino-N,N-dibutyl-3-methylbenzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C16H26N2O/c1-4-6-10-18(11-7-5-2)16(19)14-8-9-15(17)13(3)12-14/h8-9,12H,4-7,10-11,17H2,1-3H3
InChIKeyPPSSLQYAIVZLHT-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.62
Rot. Bonds7

About 4-amino-N,N-dibutyl-3-methylbenzamide

4-amino-N,N-dibutyl-3-methylbenzamide (PubChem CID 28982328) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-N,N-dibutyl-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N,N-dibutyl-3-methylbenzamide
PubChem CID28982328
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-amino-N,N-dibutyl-3-methylbenzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C16H26N2O/c1-4-6-10-18(11-7-5-2)16(19)14-8-9-15(17)13(3)12-14/h8-9,12H,4-7,10-11,17H2,1-3H3
InChIKeyPPSSLQYAIVZLHT-UHFFFAOYSA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 43294398
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CID 60946441
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
4-amino-N-butyl-N-propylbenzamide
CID 127119640
4-amino-3-hydroxy-N,N-dipropylbenzamide
CID 22411148
4-amino-3-methyl-N-octylbenzamide
CID 115565914
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 60954175
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
4-amino-N,N-didodecylbenzamide
CID 5077826

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dibutyl-3-methylbenzamide?
The IUPAC name of 4-amino-N,N-dibutyl-3-methylbenzamide (CID 28982328) is 4-amino-N,N-dibutyl-3-methylbenzamide.
What is the SMILES notation for 4-amino-N,N-dibutyl-3-methylbenzamide?
The canonical SMILES for 4-amino-N,N-dibutyl-3-methylbenzamide is CCCCN(CCCC)C(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N,N-dibutyl-3-methylbenzamide?
The InChIKey is PPSSLQYAIVZLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-6-10-18(11-7-5-2)16(19)14-8-9-15(17)13(3)12-14/h8-9,12H,4-7,10-11,17H2,1-3H3.
What are the key properties of 4-amino-N,N-dibutyl-3-methylbenzamide?
4-amino-N,N-dibutyl-3-methylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dibutyl-3-methylbenzamide is sourced from PubChem (CID 28982328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).