5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide

C16H27N3O — CID 61289863

IUPAC5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(N)cc1C(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)11-19(9-8-18(4)5)16(20)15-10-14(17)7-6-13(15)3/h6-7,10,12H,8-9,11,17H2,1-5H3
InChIKeyUIAWBCXSJVFUQU-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.24
Rot. Bonds6

About 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide

5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide (PubChem CID 61289863) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
PubChem CID61289863
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(N)cc1C(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)11-19(9-8-18(4)5)16(20)15-10-14(17)7-6-13(15)3/h6-7,10,12H,8-9,11,17H2,1-5H3
InChIKeyUIAWBCXSJVFUQU-UHFFFAOYSA-N
XLogP2.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 60954175
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82829732
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride
CID 120645559
2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62160177
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide
CID 102705085

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide (CID 61289863) is 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(N)cc1C(=O)N(CCN(C)C)CC(C)C.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is UIAWBCXSJVFUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)11-19(9-8-18(4)5)16(20)15-10-14(17)7-6-13(15)3/h6-7,10,12H,8-9,11,17H2,1-5H3.
What are the key properties of 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide?
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 61289863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).