N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid

C19H21NO3 — CID 70599028

IUPACN,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
SMILESC=CC(=O)O.CN(C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO.C3H4O2/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-3(4)5/h3-12,15H,1-2H3;2H,1H2,(H,4,5)
InChIKeyDQQMPBHPOWCEPQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.16
Rot. Bonds4

About N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid

N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid (PubChem CID 70599028) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid.

Molecular Properties

Compound NameN,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
PubChem CID70599028
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
SMILESC=CC(=O)O.CN(C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO.C3H4O2/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-3(4)5/h3-12,15H,1-2H3;2H,1H2,(H,4,5)
InChIKeyDQQMPBHPOWCEPQ-UHFFFAOYSA-N
XLogP3.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
1-chloro-N,N-dimethyl-1-phenylmethanamine;prop-2-enoic acid
CID 161381128
N,N,2-trimethyl-3-phenylpent-4-enamide
CID 132648038
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
(2,2-diphenylacetyl)-methylsulfamic acid
CID 174462025
N,N-dimethyl-2-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 15050087
2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide
CID 160825317
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
(1-hydroxy-1-phenylbut-3-en-2-yl) N,N-dimethylcarbamate
CID 102469609

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid?
The IUPAC name of N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid (CID 70599028) is N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid.
What is the SMILES notation for N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid?
The canonical SMILES for N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid is C=CC(=O)O.CN(C)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid?
The InChIKey is DQQMPBHPOWCEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C3H4O2/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-3(4)5/h3-12,15H,1-2H3;2H,1H2,(H,4,5).
What are the key properties of N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid?
N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid is sourced from PubChem (CID 70599028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).