3-amino-N,N-bis(3-methylbutyl)benzamide

C17H28N2O — CID 60939254

IUPAC3-amino-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(N)c1
InChIInChI=1S/C17H28N2O/c1-13(2)8-10-19(11-9-14(3)4)17(20)15-6-5-7-16(18)12-15/h5-7,12-14H,8-11,18H2,1-4H3
InChIKeyPSLQCFZEXNDLBY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.80
Rot. Bonds7

About 3-amino-N,N-bis(3-methylbutyl)benzamide

3-amino-N,N-bis(3-methylbutyl)benzamide (PubChem CID 60939254) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-amino-N,N-bis(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-N,N-bis(3-methylbutyl)benzamide
PubChem CID60939254
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-amino-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(N)c1
InChIInChI=1S/C17H28N2O/c1-13(2)8-10-19(11-9-14(3)4)17(20)15-6-5-7-16(18)12-15/h5-7,12-14H,8-11,18H2,1-4H3
InChIKeyPSLQCFZEXNDLBY-UHFFFAOYSA-N
XLogP3.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.80
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

3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide
CID 102978276
3-iodo-N,N-bis(3-methylbutyl)benzamide
CID 60653047
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
CID 119672598
3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide
CID 11404016
3-amino-N,N-didecylbenzamide
CID 19389018
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
CID 60939470
5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 61106628
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
3-amino-N-methyl-N-propylbenzamide
CID 43270761
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
(2S)-1-(3-aminophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 53235046

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(3-methylbutyl)benzamide?
The IUPAC name of 3-amino-N,N-bis(3-methylbutyl)benzamide (CID 60939254) is 3-amino-N,N-bis(3-methylbutyl)benzamide.
What is the SMILES notation for 3-amino-N,N-bis(3-methylbutyl)benzamide?
The canonical SMILES for 3-amino-N,N-bis(3-methylbutyl)benzamide is CC(C)CCN(CCC(C)C)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N,N-bis(3-methylbutyl)benzamide?
The InChIKey is PSLQCFZEXNDLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)8-10-19(11-9-14(3)4)17(20)15-6-5-7-16(18)12-15/h5-7,12-14H,8-11,18H2,1-4H3.
What are the key properties of 3-amino-N,N-bis(3-methylbutyl)benzamide?
3-amino-N,N-bis(3-methylbutyl)benzamide has a molecular weight of 276.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(3-methylbutyl)benzamide is sourced from PubChem (CID 60939254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).