N,N'-diethyl-N,N',2-triphenylpropanediamide

C25H26N2O2 — CID 3397142

IUPACN,N'-diethyl-N,N',2-triphenylpropanediamide
SMILESCCN(C(=O)C(C(=O)N(CC)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-3-26(21-16-10-6-11-17-21)24(28)23(20-14-8-5-9-15-20)25(29)27(4-2)22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3
InChIKeyMHAMQOWOSHKHLW-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.88
Rot. Bonds7

About N,N'-diethyl-N,N',2-triphenylpropanediamide

N,N'-diethyl-N,N',2-triphenylpropanediamide (PubChem CID 3397142) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N,N'-diethyl-N,N',2-triphenylpropanediamide.

Molecular Properties

Compound NameN,N'-diethyl-N,N',2-triphenylpropanediamide
PubChem CID3397142
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN,N'-diethyl-N,N',2-triphenylpropanediamide
SMILESCCN(C(=O)C(C(=O)N(CC)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-3-26(21-16-10-6-11-17-21)24(28)23(20-14-8-5-9-15-20)25(29)27(4-2)22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3
InChIKeyMHAMQOWOSHKHLW-UHFFFAOYSA-N
XLogP4.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479
N-ethyl-2-methylsulfanyl-N,2-diphenylacetamide
CID 101243744
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
(2R)-N-ethyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 884563
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
N-ethyl-2-hydroxy-2-(4-methylphenyl)-N-phenylacetamide
CID 82134297
N-ethyl-N,2-diphenyl-2-pyridin-2-ylacetamide
CID 110373393
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
CID 11492533
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide
CID 62876984

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N,N',2-triphenylpropanediamide?
The IUPAC name of N,N'-diethyl-N,N',2-triphenylpropanediamide (CID 3397142) is N,N'-diethyl-N,N',2-triphenylpropanediamide.
What is the SMILES notation for N,N'-diethyl-N,N',2-triphenylpropanediamide?
The canonical SMILES for N,N'-diethyl-N,N',2-triphenylpropanediamide is CCN(C(=O)C(C(=O)N(CC)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-diethyl-N,N',2-triphenylpropanediamide?
The InChIKey is MHAMQOWOSHKHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-3-26(21-16-10-6-11-17-21)24(28)23(20-14-8-5-9-15-20)25(29)27(4-2)22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3.
What are the key properties of N,N'-diethyl-N,N',2-triphenylpropanediamide?
N,N'-diethyl-N,N',2-triphenylpropanediamide has a molecular weight of 386.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N,N',2-triphenylpropanediamide is sourced from PubChem (CID 3397142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).