2,2-bis(1-phenylethyl)propanediamide

C19H22N2O2 — CID 118221756

IUPAC2,2-bis(1-phenylethyl)propanediamide
SMILESCC(c1ccccc1)C(C(N)=O)(C(N)=O)C(C)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-13(15-9-5-3-6-10-15)19(17(20)22,18(21)23)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,20,22)(H2,21,23)
InChIKeyIJWZBNDIYAIFHL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.55
Rot. Bonds6

About 2,2-bis(1-phenylethyl)propanediamide

2,2-bis(1-phenylethyl)propanediamide (PubChem CID 118221756) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2,2-bis(1-phenylethyl)propanediamide.

Molecular Properties

Compound Name2,2-bis(1-phenylethyl)propanediamide
PubChem CID118221756
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2,2-bis(1-phenylethyl)propanediamide
SMILESCC(c1ccccc1)C(C(N)=O)(C(N)=O)C(C)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-13(15-9-5-3-6-10-15)19(17(20)22,18(21)23)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,20,22)(H2,21,23)
InChIKeyIJWZBNDIYAIFHL-UHFFFAOYSA-N
XLogP2.55
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-phenylbutan-2-ol
CID 68615274
bis(carbamothioic S-acid);cumene
CID 87644989
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
[(2R)-2-phenylpropyl] carbamate
CID 175384997
(2S,3S)-2-amino-3-hydroxy-2-methyl-3-phenylpropanamide
CID 11424108
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
2-benzhydrylsulfanyl-2-methylpropanamide
CID 15225702
(2R,3R)-2,3-difluoro-2-methyl-3-phenylpropanamide
CID 155931604
2-ethyl-2-hydroxy-3-phenylbutanoic acid
CID 79303573
1,1-diaminourea;1-phenylethylbenzene
CID 174865335
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-phenylethyl)propanediamide?
The IUPAC name of 2,2-bis(1-phenylethyl)propanediamide (CID 118221756) is 2,2-bis(1-phenylethyl)propanediamide.
What is the SMILES notation for 2,2-bis(1-phenylethyl)propanediamide?
The canonical SMILES for 2,2-bis(1-phenylethyl)propanediamide is CC(c1ccccc1)C(C(N)=O)(C(N)=O)C(C)c1ccccc1.
What is the InChIKey of 2,2-bis(1-phenylethyl)propanediamide?
The InChIKey is IJWZBNDIYAIFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(15-9-5-3-6-10-15)19(17(20)22,18(21)23)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,20,22)(H2,21,23).
What are the key properties of 2,2-bis(1-phenylethyl)propanediamide?
2,2-bis(1-phenylethyl)propanediamide has a molecular weight of 310.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-phenylethyl)propanediamide is sourced from PubChem (CID 118221756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).