N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide

C21H29N3O3 — CID 108961481

IUPACN-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C21H29N3O3/c1-6-24(7-2)16-10-11-18(15(3)13-16)23-20(26)21(4,5)19(25)22-14-17-9-8-12-27-17/h8-13H,6-7,14H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyWHVSMPZLBNNWRU-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.72
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide

N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide (PubChem CID 108961481) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
PubChem CID108961481
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C21H29N3O3/c1-6-24(7-2)16-10-11-18(15(3)13-16)23-20(26)21(4,5)19(25)22-14-17-9-8-12-27-17/h8-13H,6-7,14H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyWHVSMPZLBNNWRU-UHFFFAOYSA-N
XLogP3.72
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide 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

N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255203
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366
N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108961384
N-(2-chloro-4,6-dimethylphenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961418
N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961477
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046633
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
2-(ethylamino)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62831893
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide (CID 108961481) is N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide is CCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)NCc2ccco2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The InChIKey is WHVSMPZLBNNWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-6-24(7-2)16-10-11-18(15(3)13-16)23-20(26)21(4,5)19(25)22-14-17-9-8-12-27-17/h8-13H,6-7,14H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide has a molecular weight of 371.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108961481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).