N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide

C16H27N3O2 — CID 42815460

IUPACN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(Cc1cc(N)ccc1N(C)C)C(=O)C(C)C
InChIInChI=1S/C16H27N3O2/c1-12(2)16(20)19(8-9-21-5)11-13-10-14(17)6-7-15(13)18(3)4/h6-7,10,12H,8-9,11,17H2,1-5H3
InChIKeySJFGSSACHTUDRJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.97
Rot. Bonds7

About N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 42815460) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID42815460
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(Cc1cc(N)ccc1N(C)C)C(=O)C(C)C
InChIInChI=1S/C16H27N3O2/c1-12(2)16(20)19(8-9-21-5)11-13-10-14(17)6-7-15(13)18(3)4/h6-7,10,12H,8-9,11,17H2,1-5H3
InChIKeySJFGSSACHTUDRJ-UHFFFAOYSA-N
XLogP1.97
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42815459
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 42815461
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide
CID 42815568
N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 42816914
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 26274431
N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099
2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 106590951
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
N-[[2-(dimethylamino)-5-(propylsulfonylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide
CID 42816898
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide
CID 24712140
2-(4-aminophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 54906294

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide (CID 42815460) is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide is COCCN(Cc1cc(N)ccc1N(C)C)C(=O)C(C)C.
What is the InChIKey of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is SJFGSSACHTUDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)16(20)19(8-9-21-5)11-13-10-14(17)6-7-15(13)18(3)4/h6-7,10,12H,8-9,11,17H2,1-5H3.
What are the key properties of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 42815460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).