3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide

C14H22N2O — CID 60667878

IUPAC3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)15-14(17)10-7-12-5-8-13(9-6-12)16(3)4/h5-6,8-9,11H,7,10H2,1-4H3,(H,15,17)
InChIKeyBGKPGICCDOGPEJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.21
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide

3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide (PubChem CID 60667878) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
PubChem CID60667878
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)15-14(17)10-7-12-5-8-13(9-6-12)16(3)4/h5-6,8-9,11H,7,10H2,1-4H3,(H,15,17)
InChIKeyBGKPGICCDOGPEJ-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027322
3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 24555346
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide
CID 166378581
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110647246
N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 103770356
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 113227520
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide (CID 60667878) is 3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide?
The InChIKey is BGKPGICCDOGPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)15-14(17)10-7-12-5-8-13(9-6-12)16(3)4/h5-6,8-9,11H,7,10H2,1-4H3,(H,15,17).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide?
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 60667878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).