N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide

C18H27N3O3 — CID 108960126

IUPACN-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
SMILESCN(C)c1ccc(NC(=O)C(C)(C)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H27N3O3/c1-18(2,16(22)19-12-15-6-5-11-24-15)17(23)20-13-7-9-14(10-8-13)21(3)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyUZCHDJWBFPXRBG-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.01
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide

N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108960126) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
PubChem CID108960126
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
SMILESCN(C)c1ccc(NC(=O)C(C)(C)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H27N3O3/c1-18(2,16(22)19-12-15-6-5-11-24-15)17(23)20-13-7-9-14(10-8-13)21(3)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyUZCHDJWBFPXRBG-UHFFFAOYSA-N
XLogP2.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.01
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'}

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Related Compounds

methyl 4-[[2,2-dimethyl-3-oxo-3-(oxolan-2-ylmethylamino)propanoyl]amino]benzoate
CID 108960123
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
1-[4-(dimethylamino)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 841681
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960084
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108960081
4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzenecarbothioamide
CID 2983117
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960131
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide
CID 108960054

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide (CID 108960126) is N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide is CN(C)c1ccc(NC(=O)C(C)(C)C(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is UZCHDJWBFPXRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,16(22)19-12-15-6-5-11-24-15)17(23)20-13-7-9-14(10-8-13)21(3)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide?
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide has a molecular weight of 333.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108960126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).