N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide

C20H33N3O2 — CID 24712248

IUPACN-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCCC(CC)C(=O)N(Cc1cc(N)ccc1N(C)C)CC1CCCO1
InChIInChI=1S/C20H33N3O2/c1-5-15(6-2)20(24)23(14-18-8-7-11-25-18)13-16-12-17(21)9-10-19(16)22(3)4/h9-10,12,15,18H,5-8,11,13-14,21H2,1-4H3
InChIKeyMKQLUTNOIFYJES-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.28
Rot. Bonds8

About N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 24712248) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide
PubChem CID24712248
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCCC(CC)C(=O)N(Cc1cc(N)ccc1N(C)C)CC1CCCO1
InChIInChI=1S/C20H33N3O2/c1-5-15(6-2)20(24)23(14-18-8-7-11-25-18)13-16-12-17(21)9-10-19(16)22(3)4/h9-10,12,15,18H,5-8,11,13-14,21H2,1-4H3
InChIKeyMKQLUTNOIFYJES-UHFFFAOYSA-N
XLogP3.28
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.28
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'}

Analyze N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-amino-2-(dimethylamino)phenyl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 24712063
(2R)-N-[[2-(dimethylamino)-5-[(2-methoxyacetyl)amino]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylbutanamide
CID 93128807
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455
5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide
CID 61439301
4-chloro-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61430964
N-[4-(dimethylamino)-3-[[3,3-dimethylbutanoyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]hexanamide
CID 93019493
2-(5-amino-2-pyridinyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 120625769
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
N-[3-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 46138386
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide
CID 42815492
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
N-[[5-(4-chlorobutanoylamino)-2-(dimethylamino)phenyl]methyl]-3,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 93019489

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide (CID 24712248) is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide is CCC(CC)C(=O)N(Cc1cc(N)ccc1N(C)C)CC1CCCO1.
What is the InChIKey of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is MKQLUTNOIFYJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-15(6-2)20(24)23(14-18-8-7-11-25-18)13-16-12-17(21)9-10-19(16)22(3)4/h9-10,12,15,18H,5-8,11,13-14,21H2,1-4H3.
What are the key properties of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide?
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 347.50 g/mol, XLogP of 3.28, 8 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]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 24712248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).