N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide

C26H30N4O2 — CID 20696178

IUPACN'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide
SMILESCC(=O)NNC(C(=O)c1ccccc1)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C26H30N4O2/c1-19(31)27-28-26(25(32)20-9-7-6-8-10-20,21-11-15-23(16-12-21)29(2)3)22-13-17-24(18-14-22)30(4)5/h6-18,28H,1-5H3,(H,27,31)
InChIKeyIHRXKTHNSYGRLN-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.59
Rot. Bonds8

About N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide

N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide (PubChem CID 20696178) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide.

Molecular Properties

Compound NameN'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide
PubChem CID20696178
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide
SMILESCC(=O)NNC(C(=O)c1ccccc1)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C26H30N4O2/c1-19(31)27-28-26(25(32)20-9-7-6-8-10-20,21-11-15-23(16-12-21)29(2)3)22-13-17-24(18-14-22)30(4)5/h6-18,28H,1-5H3,(H,27,31)
InChIKeyIHRXKTHNSYGRLN-UHFFFAOYSA-N
XLogP3.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 10737
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CID 38175898
bis((Z)-1-[4-(dimethylamino)phenyl]-2-phenylethene-1,2-dithiol);nickel
CID 155859224
N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide
CID 134105964
N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
CID 21335817
4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
CID 3796469
N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
CID 5438344
2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one
CID 19828225
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
bis[bis[4-(dimethylamino)phenyl]-phenylmethyl] oxalate
CID 139713541
CID 102282703
CID 102282703
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590

Frequently Asked Questions

What is the IUPAC name of N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide?
The IUPAC name of N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide (CID 20696178) is N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide.
What is the SMILES notation for N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide?
The canonical SMILES for N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide is CC(=O)NNC(C(=O)c1ccccc1)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide?
The InChIKey is IHRXKTHNSYGRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19(31)27-28-26(25(32)20-9-7-6-8-10-20,21-11-15-23(16-12-21)29(2)3)22-13-17-24(18-14-22)30(4)5/h6-18,28H,1-5H3,(H,27,31).
What are the key properties of N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide?
N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide has a molecular weight of 430.55 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide is sourced from PubChem (CID 20696178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).