3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide

C18H30N2O — CID 60939470

IUPAC3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
SMILESCc1ccc(C(=O)N(CCC(C)C)CCC(C)C)cc1N
InChIInChI=1S/C18H30N2O/c1-13(2)8-10-20(11-9-14(3)4)18(21)16-7-6-15(5)17(19)12-16/h6-7,12-14H,8-11,19H2,1-5H3
InChIKeyBAXNGUDGIDZWDP-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.11
Rot. Bonds7

About 3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide

3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide (PubChem CID 60939470) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
PubChem CID60939470
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
SMILESCc1ccc(C(=O)N(CCC(C)C)CCC(C)C)cc1N
InChIInChI=1S/C18H30N2O/c1-13(2)8-10-20(11-9-14(3)4)18(21)16-7-6-15(5)17(19)12-16/h6-7,12-14H,8-11,19H2,1-5H3
InChIKeyBAXNGUDGIDZWDP-UHFFFAOYSA-N
XLogP4.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.11
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-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
CID 119672598
4-methyl-N,N-bis(3-methylbutyl)-3-nitrobenzamide
CID 60520289
3-amino-N,N-bis(3-methylbutyl)benzamide
CID 60939254
3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide
CID 102978276
4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 60954175
3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide
CID 60946441
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
3-iodo-N,N-bis(3-methylbutyl)benzamide
CID 60653047
3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112701900
4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide
CID 61106447
2-methyl-3-[(4-methylbenzoyl)-(3-methylbutyl)amino]propanoic acid
CID 82324747

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide?
The IUPAC name of 3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide (CID 60939470) is 3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide is Cc1ccc(C(=O)N(CCC(C)C)CCC(C)C)cc1N.
What is the InChIKey of 3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide?
The InChIKey is BAXNGUDGIDZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)8-10-20(11-9-14(3)4)18(21)16-7-6-15(5)17(19)12-16/h6-7,12-14H,8-11,19H2,1-5H3.
What are the key properties of 3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide?
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide has a molecular weight of 290.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide is sourced from PubChem (CID 60939470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).