4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide

C16H27N3O — CID 60954175

IUPAC4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)N(CCN(C)C)CC(C)C)ccc1N
InChIInChI=1S/C16H27N3O/c1-12(2)11-19(9-8-18(4)5)16(20)14-6-7-15(17)13(3)10-14/h6-7,10,12H,8-9,11,17H2,1-5H3
InChIKeyZUYDJELUNXFCAO-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.24
Rot. Bonds6

About 4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide

4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide (PubChem CID 60954175) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
PubChem CID60954175
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)N(CCN(C)C)CC(C)C)ccc1N
InChIInChI=1S/C16H27N3O/c1-12(2)11-19(9-8-18(4)5)16(20)14-6-7-15(17)13(3)10-14/h6-7,10,12H,8-9,11,17H2,1-5H3
InChIKeyZUYDJELUNXFCAO-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

3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763054
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61053425
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
CID 60939470
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide
CID 63188458
3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide
CID 22181380
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide (CID 60954175) is 4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide is Cc1cc(C(=O)N(CCN(C)C)CC(C)C)ccc1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is ZUYDJELUNXFCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)11-19(9-8-18(4)5)16(20)14-6-7-15(17)13(3)10-14/h6-7,10,12H,8-9,11,17H2,1-5H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide?
4-amino-N-[2-(dimethylamino)ethyl]-3-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 4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 60954175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).