N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide

C21H35N3O3 — CID 42816914

IUPACN-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
SMILESCOCCN(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C21H35N3O3/c1-15(2)19(25)22-17-9-10-18(23(6)7)16(13-17)14-24(11-12-27-8)20(26)21(3,4)5/h9-10,13,15H,11-12,14H2,1-8H3,(H,22,25)
InChIKeyMNZAPCRGCQRPAF-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.37
Rot. Bonds8

About N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide

N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide (PubChem CID 42816914) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
PubChem CID42816914
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
SMILESCOCCN(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C21H35N3O3/c1-15(2)19(25)22-17-9-10-18(23(6)7)16(13-17)14-24(11-12-27-8)20(26)21(3,4)5/h9-10,13,15H,11-12,14H2,1-8H3,(H,22,25)
InChIKeyMNZAPCRGCQRPAF-UHFFFAOYSA-N
XLogP3.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(dimethylamino)-5-[(2-methoxyacetyl)amino]phenyl]methyl]-2,2-dimethyl-N-propylpropanamide
CID 42816419
N-[4-(dimethylamino)-3-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl]-2-methylpropanamide
CID 42816302
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42815460
N-[[5-(tert-butylcarbamoylamino)-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 46137705
N-[[5-[[(2R)-2-chloropropanoyl]amino]-2-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide
CID 93019446
N-[4-(dimethylamino)-3-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl]-2-methylpropanamide
CID 42815648
2-chloro-N-[[5-(cyclobutanecarbonylamino)-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)benzamide
CID 46138326
N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(1R)-1-phenylethyl]amino]methyl]phenyl]-4-methoxybenzamide
CID 93019418
N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(1R)-1-phenylethyl]amino]methyl]phenyl]-2-methoxybenzamide
CID 93019440
N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42816360
N-[4-(dimethylamino)-3-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl]-3,3-dimethylbutanamide
CID 42816828
N-[[2-(dimethylamino)-5-(propylsulfonylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide
CID 42816898

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide (CID 42816914) is N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide is COCCN(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)C(C)(C)C.
What is the InChIKey of N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The InChIKey is MNZAPCRGCQRPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-15(2)19(25)22-17-9-10-18(23(6)7)16(13-17)14-24(11-12-27-8)20(26)21(3,4)5/h9-10,13,15H,11-12,14H2,1-8H3,(H,22,25).
What are the key properties of N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide has a molecular weight of 377.53 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 42816914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).